MM GB PB MS 1 BOND = 515.9008 ANGLE = 1316.6761 DIHED = 1608.2004 VDWAALS = -1256.5361 EEL = -11572.6879 EGB = -2522.3491 1-4 VDW = 616.6090 1-4 EEL = 5955.1691 RESTRAINT = 0.0000 corrected reaction field energy: -4190.635990 surface area = 8746.813 ECAVITY = 8746.813 EDISPER = 0.0000 2 BOND = 527.6732 ANGLE = 1344.7781 DIHED = 1626.3669 VDWAALS = -1294.5352 EEL = -11555.4229 EGB = -2533.0663 1-4 VDW = 591.8539 1-4 EEL = 5958.4426 RESTRAINT = 0.0000 corrected reaction field energy: -4192.686723 surface area = 8900.355 ECAVITY = 8900.355 EDISPER = 0.0000 3 BOND = 545.3728 ANGLE = 1351.5856 DIHED = 1601.7855 VDWAALS = -1258.5812 EEL = -11569.9933 EGB = -2535.7305 1-4 VDW = 613.8022 1-4 EEL = 5958.0027 RESTRAINT = 0.0000 corrected reaction field energy: -4223.959867 surface area = 8965.704 ECAVITY = 8965.704 EDISPER = 0.0000 4 BOND = 531.4923 ANGLE = 1310.4052 DIHED = 1603.1259 VDWAALS = -1279.3874 EEL = -11580.2944 EGB = -2549.9951 1-4 VDW = 597.5871 1-4 EEL = 5989.1087 RESTRAINT = 0.0000 corrected reaction field energy: -4243.036975 surface area = 8981.503 ECAVITY = 8981.503 EDISPER = 0.0000 5 BOND = 497.2298 ANGLE = 1364.5387 DIHED = 1573.4993 VDWAALS = -1277.1286 EEL = -11540.3091 EGB = -2535.6891 1-4 VDW = 592.1064 1-4 EEL = 5956.0905 RESTRAINT = 0.0000 corrected reaction field energy: -4222.856581 surface area = 9007.730 ECAVITY = 9007.730 EDISPER = 0.0000 6 BOND = 539.0280 ANGLE = 1331.4798 DIHED = 1611.9600 VDWAALS = -1250.7199 EEL = -11632.6241 EGB = -2494.6376 1-4 VDW = 606.7786 1-4 EEL = 5987.2655 RESTRAINT = 0.0000 corrected reaction field energy: -4139.448167 surface area = 9005.223 ECAVITY = 9005.223 EDISPER = 0.0000 7 BOND = 535.7406 ANGLE = 1371.3715 DIHED = 1615.2169 VDWAALS = -1267.0806 EEL = -11627.9346 EGB = -2486.6244 1-4 VDW = 593.3332 1-4 EEL = 5961.7788 RESTRAINT = 0.0000 corrected reaction field energy: -4118.468113 surface area = 9068.520 ECAVITY = 9068.520 EDISPER = 0.0000 8 BOND = 506.1713 ANGLE = 1388.3163 DIHED = 1607.0819 VDWAALS = -1245.9226 EEL = -11677.0433 EGB = -2441.9758 1-4 VDW = 601.1085 1-4 EEL = 5941.2576 RESTRAINT = 0.0000 corrected reaction field energy: -4062.021185 surface area = 8980.851 ECAVITY = 8980.851 EDISPER = 0.0000 9 BOND = 507.9407 ANGLE = 1397.1408 DIHED = 1623.9684 VDWAALS = -1271.5737 EEL = -11587.4146 EGB = -2477.9416 1-4 VDW = 594.3523 1-4 EEL = 5899.8190 RESTRAINT = 0.0000 corrected reaction field energy: -4115.837134 surface area = 8951.826 ECAVITY = 8951.826 EDISPER = 0.0000 10 BOND = 504.0116 ANGLE = 1350.1226 DIHED = 1633.4033 VDWAALS = -1263.4036 EEL = -11630.2761 EGB = -2508.9006 1-4 VDW = 591.8164 1-4 EEL = 5968.4601 RESTRAINT = 0.0000 corrected reaction field energy: -4151.393586 surface area = 9031.180 ECAVITY = 9031.180 EDISPER = 0.0000 11 BOND = 503.3166 ANGLE = 1318.8656 DIHED = 1635.1259 VDWAALS = -1296.9993 EEL = -11543.2580 EGB = -2580.7730 1-4 VDW = 609.7054 1-4 EEL = 6007.9684 RESTRAINT = 0.0000 corrected reaction field energy: -4288.252088 surface area = 8959.870 ECAVITY = 8959.870 EDISPER = 0.0000 12 BOND = 463.9658 ANGLE = 1346.9082 DIHED = 1600.8979 VDWAALS = -1255.8909 EEL = -11617.1588 EGB = -2560.6346 1-4 VDW = 618.5377 1-4 EEL = 6015.3590 RESTRAINT = 0.0000 corrected reaction field energy: -4240.041478 surface area = 8875.792 ECAVITY = 8875.792 EDISPER = 0.0000 13 BOND = 559.4496 ANGLE = 1344.9571 DIHED = 1655.7892 VDWAALS = -1240.3652 EEL = -11505.5691 EGB = -2555.8547 1-4 VDW = 576.5021 1-4 EEL = 5862.8469 RESTRAINT = 0.0000 corrected reaction field energy: -4235.044901 surface area = 8980.722 ECAVITY = 8980.722 EDISPER = 0.0000 14 BOND = 516.3870 ANGLE = 1286.7173 DIHED = 1627.5453 VDWAALS = -1254.4576 EEL = -11626.8343 EGB = -2523.4633 1-4 VDW = 596.5659 1-4 EEL = 5979.3180 RESTRAINT = 0.0000 corrected reaction field energy: -4197.834946 surface area = 9034.773 ECAVITY = 9034.773 EDISPER = 0.0000 15 BOND = 491.9244 ANGLE = 1290.9212 DIHED = 1640.2261 VDWAALS = -1272.9075 EEL = -11598.7021 EGB = -2519.5341 1-4 VDW = 603.0732 1-4 EEL = 5961.4276 RESTRAINT = 0.0000 corrected reaction field energy: -4190.354171 surface area = 8849.224 ECAVITY = 8849.224 EDISPER = 0.0000 16 BOND = 512.0458 ANGLE = 1369.6220 DIHED = 1625.7773 VDWAALS = -1277.2694 EEL = -11620.7415 EGB = -2474.9727 1-4 VDW = 599.7907 1-4 EEL = 5912.1596 RESTRAINT = 0.0000 corrected reaction field energy: -4123.713797 surface area = 8867.823 ECAVITY = 8867.823 EDISPER = 0.0000 17 BOND = 486.7259 ANGLE = 1344.1921 DIHED = 1590.8594 VDWAALS = -1269.9494 EEL = -11616.6657 EGB = -2512.6331 1-4 VDW = 599.1205 1-4 EEL = 5992.2714 RESTRAINT = 0.0000 corrected reaction field energy: -4171.887838 surface area = 9044.352 ECAVITY = 9044.352 EDISPER = 0.0000 18 BOND = 539.1205 ANGLE = 1316.3538 DIHED = 1628.7688 VDWAALS = -1273.4990 EEL = -11526.0958 EGB = -2543.5609 1-4 VDW = 594.9619 1-4 EEL = 5920.6802 RESTRAINT = 0.0000 corrected reaction field energy: -4201.704919 surface area = 8978.235 ECAVITY = 8978.235 EDISPER = 0.0000 19 BOND = 528.6962 ANGLE = 1283.0271 DIHED = 1604.1386 VDWAALS = -1271.7070 EEL = -11589.9754 EGB = -2482.5065 1-4 VDW = 607.0704 1-4 EEL = 5889.9737 RESTRAINT = 0.0000 corrected reaction field energy: -4127.964058 surface area = 8959.054 ECAVITY = 8959.054 EDISPER = 0.0000 20 BOND = 504.0741 ANGLE = 1356.6395 DIHED = 1601.5891 VDWAALS = -1251.0701 EEL = -11661.2662 EGB = -2460.0397 1-4 VDW = 618.4220 1-4 EEL = 5960.3389 RESTRAINT = 0.0000 corrected reaction field energy: -4082.034333 surface area = 8788.583 ECAVITY = 8788.583 EDISPER = 0.0000 21 BOND = 506.8578 ANGLE = 1349.3237 DIHED = 1632.5262 VDWAALS = -1262.7256 EEL = -11550.1124 EGB = -2507.2493 1-4 VDW = 603.8415 1-4 EEL = 5869.0291 RESTRAINT = 0.0000 corrected reaction field energy: -4151.246973 surface area = 8953.002 ECAVITY = 8953.002 EDISPER = 0.0000 22 BOND = 467.9483 ANGLE = 1382.6765 DIHED = 1614.7364 VDWAALS = -1256.2715 EEL = -11650.4788 EGB = -2435.7039 1-4 VDW = 601.2610 1-4 EEL = 5924.5120 RESTRAINT = 0.0000 corrected reaction field energy: -4040.644907 surface area = 9012.646 ECAVITY = 9012.646 EDISPER = 0.0000 23 BOND = 512.4692 ANGLE = 1354.6619 DIHED = 1592.2450 VDWAALS = -1246.2963 EEL = -11627.0991 EGB = -2457.2935 1-4 VDW = 601.0924 1-4 EEL = 5900.8738 RESTRAINT = 0.0000 corrected reaction field energy: -4083.537030 surface area = 8953.559 ECAVITY = 8953.559 EDISPER = 0.0000 24 BOND = 520.6593 ANGLE = 1323.6181 DIHED = 1633.4079 VDWAALS = -1246.7559 EEL = -11690.6865 EGB = -2409.0374 1-4 VDW = 604.2756 1-4 EEL = 5959.1611 RESTRAINT = 0.0000 corrected reaction field energy: -3999.043279 surface area = 8906.733 ECAVITY = 8906.733 EDISPER = 0.0000 25 BOND = 512.6564 ANGLE = 1311.1394 DIHED = 1574.2029 VDWAALS = -1275.2192 EEL = -11605.9497 EGB = -2456.7660 1-4 VDW = 612.0683 1-4 EEL = 5911.8419 RESTRAINT = 0.0000 corrected reaction field energy: -4078.330096 surface area = 8931.027 ECAVITY = 8931.027 EDISPER = 0.0000 26 BOND = 515.8887 ANGLE = 1389.1180 DIHED = 1606.2747 VDWAALS = -1263.3401 EEL = -11594.4115 EGB = -2485.9853 1-4 VDW = 609.1460 1-4 EEL = 5922.1667 RESTRAINT = 0.0000 corrected reaction field energy: -4115.175028 surface area = 8855.265 ECAVITY = 8855.265 EDISPER = 0.0000 27 BOND = 540.2331 ANGLE = 1307.0712 DIHED = 1616.8812 VDWAALS = -1281.0596 EEL = -11629.6166 EGB = -2437.5657 1-4 VDW = 630.5324 1-4 EEL = 5946.3768 RESTRAINT = 0.0000 corrected reaction field energy: -4054.656325 surface area = 8838.964 ECAVITY = 8838.964 EDISPER = 0.0000 28 BOND = 508.1305 ANGLE = 1341.6478 DIHED = 1610.5762 VDWAALS = -1243.8734 EEL = -11566.7282 EGB = -2484.7192 1-4 VDW = 602.3765 1-4 EEL = 5871.2095 RESTRAINT = 0.0000 corrected reaction field energy: -4118.756977 surface area = 8891.646 ECAVITY = 8891.646 EDISPER = 0.0000 29 BOND = 519.7266 ANGLE = 1329.7140 DIHED = 1627.4046 VDWAALS = -1274.2666 EEL = -11686.9827 EGB = -2422.8560 1-4 VDW = 609.4386 1-4 EEL = 5969.0449 RESTRAINT = 0.0000 corrected reaction field energy: -3998.330513 surface area = 8774.006 ECAVITY = 8774.006 EDISPER = 0.0000 30 BOND = 460.7576 ANGLE = 1339.4695 DIHED = 1582.2233 VDWAALS = -1257.1061 EEL = -11598.4451 EGB = -2480.2266 1-4 VDW = 625.3232 1-4 EEL = 5957.1784 RESTRAINT = 0.0000 corrected reaction field energy: -4121.184140 surface area = 8925.672 ECAVITY = 8925.672 EDISPER = 0.0000 31 BOND = 517.0880 ANGLE = 1345.6729 DIHED = 1622.4710 VDWAALS = -1264.5536 EEL = -11545.4513 EGB = -2515.8821 1-4 VDW = 605.3942 1-4 EEL = 5922.7553 RESTRAINT = 0.0000 corrected reaction field energy: -4177.044784 surface area = 8929.278 ECAVITY = 8929.278 EDISPER = 0.0000 32 BOND = 536.8847 ANGLE = 1324.0757 DIHED = 1612.8229 VDWAALS = -1269.4463 EEL = -11524.4320 EGB = -2532.4246 1-4 VDW = 595.3999 1-4 EEL = 5918.5434 RESTRAINT = 0.0000 corrected reaction field energy: -4186.607325 surface area = 8901.695 ECAVITY = 8901.695 EDISPER = 0.0000 33 BOND = 500.4511 ANGLE = 1363.5321 DIHED = 1594.2227 VDWAALS = -1288.3487 EEL = -11491.8861 EGB = -2534.8911 1-4 VDW = 616.1849 1-4 EEL = 5922.9612 RESTRAINT = 0.0000 corrected reaction field energy: -4196.174061 surface area = 8764.861 ECAVITY = 8764.861 EDISPER = 0.0000 34 BOND = 521.1797 ANGLE = 1329.4285 DIHED = 1620.1399 VDWAALS = -1260.0397 EEL = -11493.0099 EGB = -2618.1022 1-4 VDW = 609.3604 1-4 EEL = 6001.6263 RESTRAINT = 0.0000 corrected reaction field energy: -4358.278815 surface area = 9138.109 ECAVITY = 9138.109 EDISPER = 0.0000 35 BOND = 486.4680 ANGLE = 1319.0201 DIHED = 1582.3362 VDWAALS = -1259.3897 EEL = -11454.1954 EGB = -2610.2474 1-4 VDW = 618.6193 1-4 EEL = 5960.6074 RESTRAINT = 0.0000 corrected reaction field energy: -4300.563704 surface area = 8917.674 ECAVITY = 8917.674 EDISPER = 0.0000 36 BOND = 527.2795 ANGLE = 1291.7271 DIHED = 1596.6153 VDWAALS = -1278.5376 EEL = -11511.3325 EGB = -2576.9287 1-4 VDW = 601.6808 1-4 EEL = 5966.4220 RESTRAINT = 0.0000 corrected reaction field energy: -4316.370709 surface area = 9019.633 ECAVITY = 9019.633 EDISPER = 0.0000 37 BOND = 486.8583 ANGLE = 1358.1803 DIHED = 1591.2295 VDWAALS = -1264.6010 EEL = -11479.0366 EGB = -2583.4777 1-4 VDW = 622.5744 1-4 EEL = 5951.8767 RESTRAINT = 0.0000 corrected reaction field energy: -4276.665317 surface area = 8899.597 ECAVITY = 8899.597 EDISPER = 0.0000 38 BOND = 521.2275 ANGLE = 1337.6847 DIHED = 1619.0527 VDWAALS = -1268.4478 EEL = -11573.0912 EGB = -2529.8625 1-4 VDW = 598.7276 1-4 EEL = 5959.3296 RESTRAINT = 0.0000 corrected reaction field energy: -4178.233119 surface area = 8991.387 ECAVITY = 8991.387 EDISPER = 0.0000 39 BOND = 540.1144 ANGLE = 1311.2967 DIHED = 1609.7959 VDWAALS = -1282.4922 EEL = -11471.5691 EGB = -2625.1382 1-4 VDW = 605.6592 1-4 EEL = 5964.7002 RESTRAINT = 0.0000 corrected reaction field energy: -4358.711608 surface area = 8992.949 ECAVITY = 8992.949 EDISPER = 0.0000 40 BOND = 538.7111 ANGLE = 1331.9051 DIHED = 1583.6552 VDWAALS = -1279.5099 EEL = -11523.4730 EGB = -2564.8496 1-4 VDW = 601.0691 1-4 EEL = 5961.6047 RESTRAINT = 0.0000 corrected reaction field energy: -4251.658947 surface area = 8907.877 ECAVITY = 8907.877 EDISPER = 0.0000 41 BOND = 509.4220 ANGLE = 1352.7555 DIHED = 1641.4745 VDWAALS = -1282.0619 EEL = -11462.5694 EGB = -2595.8750 1-4 VDW = 626.5768 1-4 EEL = 5922.3389 RESTRAINT = 0.0000 corrected reaction field energy: -4324.300716 surface area = 9045.107 ECAVITY = 9045.107 EDISPER = 0.0000 42 BOND = 503.1674 ANGLE = 1331.6628 DIHED = 1631.1562 VDWAALS = -1296.4481 EEL = -11428.4208 EGB = -2623.6434 1-4 VDW = 617.7550 1-4 EEL = 5920.9724 RESTRAINT = 0.0000 corrected reaction field energy: -4358.367722 surface area = 8871.329 ECAVITY = 8871.329 EDISPER = 0.0000 43 BOND = 533.6045 ANGLE = 1338.2896 DIHED = 1621.8599 VDWAALS = -1273.7737 EEL = -11478.6844 EGB = -2586.0994 1-4 VDW = 597.6192 1-4 EEL = 5930.6414 RESTRAINT = 0.0000 corrected reaction field energy: -4273.180831 surface area = 8937.146 ECAVITY = 8937.146 EDISPER = 0.0000 44 BOND = 532.9172 ANGLE = 1334.5701 DIHED = 1616.7092 VDWAALS = -1274.5031 EEL = -11442.0433 EGB = -2611.6340 1-4 VDW = 585.0869 1-4 EEL = 5933.6391 RESTRAINT = 0.0000 corrected reaction field energy: -4322.186069 surface area = 8922.113 ECAVITY = 8922.113 EDISPER = 0.0000 45 BOND = 514.4561 ANGLE = 1327.8829 DIHED = 1616.3424 VDWAALS = -1262.5777 EEL = -11478.9660 EGB = -2624.9332 1-4 VDW = 594.3089 1-4 EEL = 5986.2297 RESTRAINT = 0.0000 corrected reaction field energy: -4363.808331 surface area = 8949.453 ECAVITY = 8949.453 EDISPER = 0.0000 46 BOND = 541.1337 ANGLE = 1339.9357 DIHED = 1621.7976 VDWAALS = -1302.2437 EEL = -11463.9393 EGB = -2583.1024 1-4 VDW = 582.0675 1-4 EEL = 5913.7910 RESTRAINT = 0.0000 corrected reaction field energy: -4250.832782 surface area = 8904.085 ECAVITY = 8904.085 EDISPER = 0.0000 47 BOND = 578.7049 ANGLE = 1324.1015 DIHED = 1619.0485 VDWAALS = -1266.8521 EEL = -11462.3682 EGB = -2593.8276 1-4 VDW = 582.9050 1-4 EEL = 5939.3214 RESTRAINT = 0.0000 corrected reaction field energy: -4296.570267 surface area = 8881.109 ECAVITY = 8881.109 EDISPER = 0.0000 48 BOND = 487.7496 ANGLE = 1308.4324 DIHED = 1599.8351 VDWAALS = -1273.8515 EEL = -11488.0987 EGB = -2539.8152 1-4 VDW = 612.9553 1-4 EEL = 5895.2153 RESTRAINT = 0.0000 corrected reaction field energy: -4229.394605 surface area = 8955.201 ECAVITY = 8955.201 EDISPER = 0.0000 49 BOND = 509.0604 ANGLE = 1291.1134 DIHED = 1596.1711 VDWAALS = -1255.2934 EEL = -11570.0054 EGB = -2537.3837 1-4 VDW = 616.9703 1-4 EEL = 5975.1793 RESTRAINT = 0.0000 corrected reaction field energy: -4221.574474 surface area = 9045.776 ECAVITY = 9045.776 EDISPER = 0.0000 50 BOND = 523.1206 ANGLE = 1350.6527 DIHED = 1613.4931 VDWAALS = -1270.4800 EEL = -11430.3786 EGB = -2588.7036 1-4 VDW = 590.2575 1-4 EEL = 5872.0604 RESTRAINT = 0.0000 corrected reaction field energy: -4283.433996 surface area = 9135.919 ECAVITY = 9135.919 EDISPER = 0.0000 51 BOND = 511.3659 ANGLE = 1317.2583 DIHED = 1578.1773 VDWAALS = -1275.4656 EEL = -11439.9980 EGB = -2635.5507 1-4 VDW = 610.8021 1-4 EEL = 5984.6613 RESTRAINT = 0.0000 corrected reaction field energy: -4349.030970 surface area = 9039.546 ECAVITY = 9039.546 EDISPER = 0.0000 52 BOND = 491.0100 ANGLE = 1360.0549 DIHED = 1613.8771 VDWAALS = -1290.9196 EEL = -11478.8407 EGB = -2615.3183 1-4 VDW = 595.7270 1-4 EEL = 5971.5329 RESTRAINT = 0.0000 corrected reaction field energy: -4334.119243 surface area = 9213.655 ECAVITY = 9213.655 EDISPER = 0.0000 53 BOND = 522.8410 ANGLE = 1352.7225 DIHED = 1595.1719 VDWAALS = -1236.0427 EEL = -11546.4015 EGB = -2568.5805 1-4 VDW = 601.9249 1-4 EEL = 5968.3574 RESTRAINT = 0.0000 corrected reaction field energy: -4259.071448 surface area = 9094.667 ECAVITY = 9094.667 EDISPER = 0.0000 54 BOND = 536.8272 ANGLE = 1347.9124 DIHED = 1594.6770 VDWAALS = -1263.9916 EEL = -11468.8719 EGB = -2595.5811 1-4 VDW = 589.1186 1-4 EEL = 5932.1690 RESTRAINT = 0.0000 corrected reaction field energy: -4300.066160 surface area = 9131.674 ECAVITY = 9131.674 EDISPER = 0.0000 55 BOND = 505.0491 ANGLE = 1360.1182 DIHED = 1584.9868 VDWAALS = -1291.6707 EEL = -11459.8224 EGB = -2620.4107 1-4 VDW = 605.9081 1-4 EEL = 5959.0081 RESTRAINT = 0.0000 corrected reaction field energy: -4347.659118 surface area = 9034.610 ECAVITY = 9034.610 EDISPER = 0.0000 56 BOND = 482.5050 ANGLE = 1320.5469 DIHED = 1621.7493 VDWAALS = -1257.3416 EEL = -11635.1856 EGB = -2493.5084 1-4 VDW = 604.8562 1-4 EEL = 5968.2744 RESTRAINT = 0.0000 corrected reaction field energy: -4165.321129 surface area = 9047.126 ECAVITY = 9047.126 EDISPER = 0.0000 57 BOND = 533.7038 ANGLE = 1372.4338 DIHED = 1592.1932 VDWAALS = -1282.2669 EEL = -11429.7951 EGB = -2606.9406 1-4 VDW = 590.7698 1-4 EEL = 5949.7543 RESTRAINT = 0.0000 corrected reaction field energy: -4314.939808 surface area = 9074.470 ECAVITY = 9074.470 EDISPER = 0.0000 58 BOND = 497.0725 ANGLE = 1307.1923 DIHED = 1601.9555 VDWAALS = -1258.3498 EEL = -11587.7650 EGB = -2552.5119 1-4 VDW = 605.1688 1-4 EEL = 5986.8793 RESTRAINT = 0.0000 corrected reaction field energy: -4216.924131 surface area = 8886.679 ECAVITY = 8886.679 EDISPER = 0.0000 59 BOND = 508.6063 ANGLE = 1316.5194 DIHED = 1597.0595 VDWAALS = -1256.8240 EEL = -11561.5365 EGB = -2539.3582 1-4 VDW = 590.4920 1-4 EEL = 5947.4763 RESTRAINT = 0.0000 corrected reaction field energy: -4201.635471 surface area = 9035.328 ECAVITY = 9035.328 EDISPER = 0.0000 60 BOND = 531.6533 ANGLE = 1329.8890 DIHED = 1601.0927 VDWAALS = -1275.6915 EEL = -11548.0120 EGB = -2553.8402 1-4 VDW = 605.7554 1-4 EEL = 5957.0402 RESTRAINT = 0.0000 corrected reaction field energy: -4239.032299 surface area = 9030.500 ECAVITY = 9030.500 EDISPER = 0.0000 61 BOND = 513.2022 ANGLE = 1319.4061 DIHED = 1579.2578 VDWAALS = -1287.9038 EEL = -11607.0529 EGB = -2503.1030 1-4 VDW = 586.7001 1-4 EEL = 5966.1427 RESTRAINT = 0.0000 corrected reaction field energy: -4138.107683 surface area = 8969.158 ECAVITY = 8969.158 EDISPER = 0.0000 62 BOND = 519.0996 ANGLE = 1330.8284 DIHED = 1592.2037 VDWAALS = -1271.6077 EEL = -11648.9027 EGB = -2450.5745 1-4 VDW = 605.7791 1-4 EEL = 5965.5887 RESTRAINT = 0.0000 corrected reaction field energy: -4034.939758 surface area = 8895.538 ECAVITY = 8895.538 EDISPER = 0.0000 63 BOND = 539.9032 ANGLE = 1372.8883 DIHED = 1589.4606 VDWAALS = -1256.1342 EEL = -11629.0311 EGB = -2474.7394 1-4 VDW = 584.2542 1-4 EEL = 5934.1288 RESTRAINT = 0.0000 corrected reaction field energy: -4110.295876 surface area = 9073.170 ECAVITY = 9073.170 EDISPER = 0.0000 64 BOND = 535.6786 ANGLE = 1337.2917 DIHED = 1612.9918 VDWAALS = -1248.8830 EEL = -11586.9458 EGB = -2533.2754 1-4 VDW = 599.5966 1-4 EEL = 5946.6597 RESTRAINT = 0.0000 corrected reaction field energy: -4204.513544 surface area = 9172.132 ECAVITY = 9172.132 EDISPER = 0.0000 65 BOND = 504.9501 ANGLE = 1338.6803 DIHED = 1616.7125 VDWAALS = -1245.2654 EEL = -11553.0913 EGB = -2512.0696 1-4 VDW = 589.9574 1-4 EEL = 5892.9022 RESTRAINT = 0.0000 corrected reaction field energy: -4178.347356 surface area = 9203.444 ECAVITY = 9203.444 EDISPER = 0.0000 66 BOND = 487.4019 ANGLE = 1360.2638 DIHED = 1596.2795 VDWAALS = -1241.1260 EEL = -11562.8804 EGB = -2535.7317 1-4 VDW = 586.8429 1-4 EEL = 5930.7994 RESTRAINT = 0.0000 corrected reaction field energy: -4159.039593 surface area = 9110.581 ECAVITY = 9110.581 EDISPER = 0.0000 67 BOND = 505.6764 ANGLE = 1308.5922 DIHED = 1569.9813 VDWAALS = -1243.4127 EEL = -11571.2801 EGB = -2564.1737 1-4 VDW = 618.2363 1-4 EEL = 5985.1017 RESTRAINT = 0.0000 corrected reaction field energy: -4279.850371 surface area = 9348.209 ECAVITY = 9348.209 EDISPER = 0.0000 68 BOND = 501.1478 ANGLE = 1313.9478 DIHED = 1597.2754 VDWAALS = -1266.5385 EEL = -11547.8683 EGB = -2557.6063 1-4 VDW = 597.4158 1-4 EEL = 5963.8113 RESTRAINT = 0.0000 corrected reaction field energy: -4240.808595 surface area = 9237.244 ECAVITY = 9237.244 EDISPER = 0.0000 69 BOND = 506.4337 ANGLE = 1379.7994 DIHED = 1599.3033 VDWAALS = -1257.7020 EEL = -11621.1679 EGB = -2519.0844 1-4 VDW = 627.8358 1-4 EEL = 5944.4103 RESTRAINT = 0.0000 corrected reaction field energy: -4193.030945 surface area = 9191.093 ECAVITY = 9191.093 EDISPER = 0.0000 70 BOND = 538.4406 ANGLE = 1304.8244 DIHED = 1584.4125 VDWAALS = -1251.1027 EEL = -11631.3537 EGB = -2520.6786 1-4 VDW = 614.6800 1-4 EEL = 5983.3053 RESTRAINT = 0.0000 corrected reaction field energy: -4171.042382 surface area = 9096.574 ECAVITY = 9096.574 EDISPER = 0.0000 71 BOND = 464.1446 ANGLE = 1339.3615 DIHED = 1596.3111 VDWAALS = -1276.1054 EEL = -11628.7106 EGB = -2486.2552 1-4 VDW = 610.0039 1-4 EEL = 5965.1031 RESTRAINT = 0.0000 corrected reaction field energy: -4122.994321 surface area = 8909.293 ECAVITY = 8909.293 EDISPER = 0.0000 72 BOND = 481.9120 ANGLE = 1336.6881 DIHED = 1592.3106 VDWAALS = -1266.8278 EEL = -11608.9700 EGB = -2477.9072 1-4 VDW = 605.1468 1-4 EEL = 5958.6614 RESTRAINT = 0.0000 corrected reaction field energy: -4117.904140 surface area = 8905.153 ECAVITY = 8905.153 EDISPER = 0.0000 73 BOND = 503.4365 ANGLE = 1349.9206 DIHED = 1575.5603 VDWAALS = -1249.0075 EEL = -11523.2504 EGB = -2538.1574 1-4 VDW = 597.8168 1-4 EEL = 5936.0745 RESTRAINT = 0.0000 corrected reaction field energy: -4212.633275 surface area = 9265.927 ECAVITY = 9265.927 EDISPER = 0.0000 74 BOND = 535.2636 ANGLE = 1344.5023 DIHED = 1594.1579 VDWAALS = -1285.3594 EEL = -11574.7658 EGB = -2504.6836 1-4 VDW = 612.7972 1-4 EEL = 5963.1486 RESTRAINT = 0.0000 corrected reaction field energy: -4149.136353 surface area = 9143.935 ECAVITY = 9143.935 EDISPER = 0.0000 75 BOND = 509.8271 ANGLE = 1299.1289 DIHED = 1584.0257 VDWAALS = -1285.5333 EEL = -11481.8007 EGB = -2582.8131 1-4 VDW = 609.2411 1-4 EEL = 5946.5760 RESTRAINT = 0.0000 corrected reaction field energy: -4265.164098 surface area = 9039.211 ECAVITY = 9039.211 EDISPER = 0.0000 76 BOND = 547.6307 ANGLE = 1389.4165 DIHED = 1599.6726 VDWAALS = -1270.7709 EEL = -11461.4591 EGB = -2547.9492 1-4 VDW = 590.7462 1-4 EEL = 5892.2938 RESTRAINT = 0.0000 corrected reaction field energy: -4231.861357 surface area = 9216.788 ECAVITY = 9216.788 EDISPER = 0.0000 77 BOND = 552.7704 ANGLE = 1325.1407 DIHED = 1558.0195 VDWAALS = -1226.2916 EEL = -11497.4591 EGB = -2571.8370 1-4 VDW = 617.1678 1-4 EEL = 5917.0909 RESTRAINT = 0.0000 corrected reaction field energy: -4277.007190 surface area = 9134.321 ECAVITY = 9134.321 EDISPER = 0.0000 78 BOND = 509.0012 ANGLE = 1346.3013 DIHED = 1595.0197 VDWAALS = -1265.2386 EEL = -11418.4335 EGB = -2603.4207 1-4 VDW = 617.4408 1-4 EEL = 5851.0216 RESTRAINT = 0.0000 corrected reaction field energy: -4328.097718 surface area = 9044.585 ECAVITY = 9044.585 EDISPER = 0.0000 79 BOND = 539.4730 ANGLE = 1349.1819 DIHED = 1586.2972 VDWAALS = -1270.3760 EEL = -11650.7549 EGB = -2455.2325 1-4 VDW = 610.3070 1-4 EEL = 5955.5646 RESTRAINT = 0.0000 corrected reaction field energy: -4085.872602 surface area = 8840.858 ECAVITY = 8840.858 EDISPER = 0.0000 80 BOND = 499.8403 ANGLE = 1349.4131 DIHED = 1551.3285 VDWAALS = -1252.4958 EEL = -11517.7000 EGB = -2519.1203 1-4 VDW = 599.5352 1-4 EEL = 5881.9055 RESTRAINT = 0.0000 corrected reaction field energy: -4171.471653 surface area = 8997.205 ECAVITY = 8997.205 EDISPER = 0.0000 81 BOND = 506.6568 ANGLE = 1361.1735 DIHED = 1588.9730 VDWAALS = -1260.5287 EEL = -11541.1070 EGB = -2500.8544 1-4 VDW = 584.1324 1-4 EEL = 5899.0205 RESTRAINT = 0.0000 corrected reaction field energy: -4160.665418 surface area = 8943.102 ECAVITY = 8943.102 EDISPER = 0.0000 82 BOND = 498.8116 ANGLE = 1364.3584 DIHED = 1577.9539 VDWAALS = -1278.6973 EEL = -11596.9954 EGB = -2493.6749 1-4 VDW = 615.3802 1-4 EEL = 5940.4085 RESTRAINT = 0.0000 corrected reaction field energy: -4112.264077 surface area = 8800.849 ECAVITY = 8800.849 EDISPER = 0.0000 83 BOND = 519.3365 ANGLE = 1304.4230 DIHED = 1607.1282 VDWAALS = -1284.7268 EEL = -11493.6345 EGB = -2519.8873 1-4 VDW = 601.3075 1-4 EEL = 5861.5122 RESTRAINT = 0.0000 corrected reaction field energy: -4174.244714 surface area = 8843.306 ECAVITY = 8843.306 EDISPER = 0.0000 84 BOND = 527.9954 ANGLE = 1318.3525 DIHED = 1570.2079 VDWAALS = -1278.5870 EEL = -11560.1220 EGB = -2540.2934 1-4 VDW = 598.1785 1-4 EEL = 5974.2763 RESTRAINT = 0.0000 corrected reaction field energy: -4187.894800 surface area = 8907.482 ECAVITY = 8907.482 EDISPER = 0.0000 85 BOND = 510.2343 ANGLE = 1341.0641 DIHED = 1574.9888 VDWAALS = -1270.3680 EEL = -11514.9552 EGB = -2509.7230 1-4 VDW = 623.5559 1-4 EEL = 5885.9165 RESTRAINT = 0.0000 corrected reaction field energy: -4145.921440 surface area = 8847.887 ECAVITY = 8847.887 EDISPER = 0.0000 86 BOND = 499.6459 ANGLE = 1360.6045 DIHED = 1584.8657 VDWAALS = -1271.6033 EEL = -11568.9169 EGB = -2529.2096 1-4 VDW = 613.3029 1-4 EEL = 5977.1261 RESTRAINT = 0.0000 corrected reaction field energy: -4200.242650 surface area = 8980.655 ECAVITY = 8980.655 EDISPER = 0.0000 87 BOND = 515.2089 ANGLE = 1311.7761 DIHED = 1597.0388 VDWAALS = -1260.8158 EEL = -11536.0214 EGB = -2538.7885 1-4 VDW = 628.0482 1-4 EEL = 5955.3759 RESTRAINT = 0.0000 corrected reaction field energy: -4201.284540 surface area = 8844.161 ECAVITY = 8844.161 EDISPER = 0.0000 88 BOND = 510.3329 ANGLE = 1314.1502 DIHED = 1584.9428 VDWAALS = -1281.1371 EEL = -11483.2355 EGB = -2600.6313 1-4 VDW = 595.0758 1-4 EEL = 5975.2291 RESTRAINT = 0.0000 corrected reaction field energy: -4314.870025 surface area = 8855.074 ECAVITY = 8855.074 EDISPER = 0.0000 89 BOND = 531.4752 ANGLE = 1364.2295 DIHED = 1580.3222 VDWAALS = -1269.3154 EEL = -11515.1207 EGB = -2516.1681 1-4 VDW = 607.7949 1-4 EEL = 5883.1472 RESTRAINT = 0.0000 corrected reaction field energy: -4210.874257 surface area = 8944.920 ECAVITY = 8944.920 EDISPER = 0.0000 90 BOND = 526.6362 ANGLE = 1339.3446 DIHED = 1573.2952 VDWAALS = -1313.6624 EEL = -11608.2372 EGB = -2437.9554 1-4 VDW = 587.7976 1-4 EEL = 5949.2695 RESTRAINT = 0.0000 corrected reaction field energy: -4074.470355 surface area = 8836.811 ECAVITY = 8836.811 EDISPER = 0.0000 91 BOND = 520.8591 ANGLE = 1346.4518 DIHED = 1629.3525 VDWAALS = -1265.6558 EEL = -11511.9416 EGB = -2511.0749 1-4 VDW = 571.3197 1-4 EEL = 5869.7343 RESTRAINT = 0.0000 corrected reaction field energy: -4194.216931 surface area = 9011.924 ECAVITY = 9011.924 EDISPER = 0.0000 92 BOND = 515.3589 ANGLE = 1375.2042 DIHED = 1610.8554 VDWAALS = -1242.1731 EEL = -11621.2463 EGB = -2509.3847 1-4 VDW = 598.9894 1-4 EEL = 5973.2665 RESTRAINT = 0.0000 corrected reaction field energy: -4212.032733 surface area = 8929.964 ECAVITY = 8929.964 EDISPER = 0.0000 93 BOND = 479.1855 ANGLE = 1325.0072 DIHED = 1645.7474 VDWAALS = -1281.9115 EEL = -11509.4748 EGB = -2527.7109 1-4 VDW = 595.7118 1-4 EEL = 5913.7136 RESTRAINT = 0.0000 corrected reaction field energy: -4216.994921 surface area = 8876.427 ECAVITY = 8876.427 EDISPER = 0.0000 94 BOND = 553.5017 ANGLE = 1410.7563 DIHED = 1586.7502 VDWAALS = -1241.3888 EEL = -11569.1506 EGB = -2513.7844 1-4 VDW = 585.1264 1-4 EEL = 5872.5122 RESTRAINT = 0.0000 corrected reaction field energy: -4212.589492 surface area = 9108.142 ECAVITY = 9108.142 EDISPER = 0.0000 95 BOND = 511.7596 ANGLE = 1309.9209 DIHED = 1613.8242 VDWAALS = -1263.1660 EEL = -11550.1389 EGB = -2530.0056 1-4 VDW = 598.1566 1-4 EEL = 5954.2117 RESTRAINT = 0.0000 corrected reaction field energy: -4217.809679 surface area = 9023.855 ECAVITY = 9023.855 EDISPER = 0.0000 96 BOND = 532.8931 ANGLE = 1337.3391 DIHED = 1594.3562 VDWAALS = -1263.7073 EEL = -11580.5818 EGB = -2493.1184 1-4 VDW = 587.7813 1-4 EEL = 5900.9692 RESTRAINT = 0.0000 corrected reaction field energy: -4146.314141 surface area = 8939.147 ECAVITY = 8939.147 EDISPER = 0.0000 97 BOND = 539.5298 ANGLE = 1402.3207 DIHED = 1591.2134 VDWAALS = -1235.2960 EEL = -11467.0974 EGB = -2590.8094 1-4 VDW = 604.4304 1-4 EEL = 5901.7244 RESTRAINT = 0.0000 corrected reaction field energy: -4347.818479 surface area = 9021.135 ECAVITY = 9021.135 EDISPER = 0.0000 98 BOND = 504.4252 ANGLE = 1355.1528 DIHED = 1582.0823 VDWAALS = -1288.7292 EEL = -11494.3998 EGB = -2591.8711 1-4 VDW = 601.0686 1-4 EEL = 5935.2925 RESTRAINT = 0.0000 corrected reaction field energy: -4314.452665 surface area = 8966.055 ECAVITY = 8966.055 EDISPER = 0.0000 99 BOND = 509.5338 ANGLE = 1339.1126 DIHED = 1610.9348 VDWAALS = -1226.8055 EEL = -11588.4179 EGB = -2558.9670 1-4 VDW = 587.4050 1-4 EEL = 5951.2786 RESTRAINT = 0.0000 corrected reaction field energy: -4283.917617 surface area = 9022.055 ECAVITY = 9022.055 EDISPER = 0.0000 100 BOND = 547.7393 ANGLE = 1349.1221 DIHED = 1599.3859 VDWAALS = -1270.9656 EEL = -11518.0924 EGB = -2584.3920 1-4 VDW = 594.6445 1-4 EEL = 5931.1033 RESTRAINT = 0.0000 corrected reaction field energy: -4304.790480 surface area = 9002.269 ECAVITY = 9002.269 EDISPER = 0.0000 101 BOND = 532.1433 ANGLE = 1320.5988 DIHED = 1564.6777 VDWAALS = -1288.8703 EEL = -11429.0546 EGB = -2602.9289 1-4 VDW = 579.6920 1-4 EEL = 5902.3448 RESTRAINT = 0.0000 corrected reaction field energy: -4291.763582 surface area = 8878.716 ECAVITY = 8878.716 EDISPER = 0.0000 102 BOND = 523.5566 ANGLE = 1374.4561 DIHED = 1607.7907 VDWAALS = -1278.3504 EEL = -11503.7072 EGB = -2567.6913 1-4 VDW = 604.6542 1-4 EEL = 5924.7965 RESTRAINT = 0.0000 corrected reaction field energy: -4270.167217 surface area = 9027.963 ECAVITY = 9027.963 EDISPER = 0.0000 103 BOND = 511.5195 ANGLE = 1376.8003 DIHED = 1586.3060 VDWAALS = -1231.2921 EEL = -11533.7846 EGB = -2563.0773 1-4 VDW = 605.6883 1-4 EEL = 5944.8572 RESTRAINT = 0.0000 corrected reaction field energy: -4253.769399 surface area = 9023.108 ECAVITY = 9023.108 EDISPER = 0.0000 104 BOND = 522.4390 ANGLE = 1304.4448 DIHED = 1597.1356 VDWAALS = -1293.3889 EEL = -11550.7220 EGB = -2517.0317 1-4 VDW = 609.5255 1-4 EEL = 5949.1596 RESTRAINT = 0.0000 corrected reaction field energy: -4184.847301 surface area = 8873.427 ECAVITY = 8873.427 EDISPER = 0.0000 105 BOND = 500.1276 ANGLE = 1308.4959 DIHED = 1574.4343 VDWAALS = -1294.5208 EEL = -11491.7624 EGB = -2574.2415 1-4 VDW = 603.8440 1-4 EEL = 5974.0836 RESTRAINT = 0.0000 corrected reaction field energy: -4308.155193 surface area = 9071.312 ECAVITY = 9071.312 EDISPER = 0.0000 106 BOND = 494.1883 ANGLE = 1347.1317 DIHED = 1595.3164 VDWAALS = -1253.9464 EEL = -11534.8870 EGB = -2594.2481 1-4 VDW = 595.4992 1-4 EEL = 5996.9379 RESTRAINT = 0.0000 corrected reaction field energy: -4299.311456 surface area = 9060.736 ECAVITY = 9060.736 EDISPER = 0.0000 107 BOND = 517.3158 ANGLE = 1321.8828 DIHED = 1604.0678 VDWAALS = -1245.5655 EEL = -11533.2359 EGB = -2532.9110 1-4 VDW = 605.6157 1-4 EEL = 5929.5690 RESTRAINT = 0.0000 corrected reaction field energy: -4238.117730 surface area = 9103.670 ECAVITY = 9103.670 EDISPER = 0.0000 108 BOND = 465.4356 ANGLE = 1339.0895 DIHED = 1632.0474 VDWAALS = -1260.8378 EEL = -11640.2654 EGB = -2496.0718 1-4 VDW = 592.3976 1-4 EEL = 5947.4969 RESTRAINT = 0.0000 corrected reaction field energy: -4165.577953 surface area = 9044.759 ECAVITY = 9044.759 EDISPER = 0.0000 109 BOND = 503.2537 ANGLE = 1333.3179 DIHED = 1591.0477 VDWAALS = -1264.4170 EEL = -11548.0976 EGB = -2513.5757 1-4 VDW = 614.0950 1-4 EEL = 5926.9944 RESTRAINT = 0.0000 corrected reaction field energy: -4187.848502 surface area = 9015.929 ECAVITY = 9015.929 EDISPER = 0.0000 110 BOND = 512.3729 ANGLE = 1324.6440 DIHED = 1602.8340 VDWAALS = -1262.3346 EEL = -11544.7021 EGB = -2544.2013 1-4 VDW = 596.6881 1-4 EEL = 5945.3012 RESTRAINT = 0.0000 corrected reaction field energy: -4223.197615 surface area = 9094.177 ECAVITY = 9094.177 EDISPER = 0.0000 111 BOND = 487.0478 ANGLE = 1323.6902 DIHED = 1621.8915 VDWAALS = -1256.6510 EEL = -11514.9493 EGB = -2573.7606 1-4 VDW = 607.1007 1-4 EEL = 5918.1482 RESTRAINT = 0.0000 corrected reaction field energy: -4301.113250 surface area = 9218.033 ECAVITY = 9218.033 EDISPER = 0.0000 112 BOND = 494.8960 ANGLE = 1372.5342 DIHED = 1597.3808 VDWAALS = -1235.7777 EEL = -11563.3996 EGB = -2566.3212 1-4 VDW = 623.3509 1-4 EEL = 5929.5368 RESTRAINT = 0.0000 corrected reaction field energy: -4257.905255 surface area = 9179.672 ECAVITY = 9179.672 EDISPER = 0.0000 113 BOND = 544.2252 ANGLE = 1301.2960 DIHED = 1609.1765 VDWAALS = -1262.8690 EEL = -11513.3254 EGB = -2539.2675 1-4 VDW = 594.0592 1-4 EEL = 5902.2239 RESTRAINT = 0.0000 corrected reaction field energy: -4227.939716 surface area = 9133.380 ECAVITY = 9133.380 EDISPER = 0.0000 114 BOND = 529.1395 ANGLE = 1260.8963 DIHED = 1592.4352 VDWAALS = -1261.0257 EEL = -11512.3234 EGB = -2531.8302 1-4 VDW = 608.9848 1-4 EEL = 5887.8685 RESTRAINT = 0.0000 corrected reaction field energy: -4229.948848 surface area = 9125.435 ECAVITY = 9125.435 EDISPER = 0.0000 115 BOND = 520.4342 ANGLE = 1418.8112 DIHED = 1569.9961 VDWAALS = -1268.3102 EEL = -11479.3974 EGB = -2527.3858 1-4 VDW = 592.9946 1-4 EEL = 5860.8627 RESTRAINT = 0.0000 corrected reaction field energy: -4215.386039 surface area = 9085.946 ECAVITY = 9085.946 EDISPER = 0.0000 116 BOND = 494.6511 ANGLE = 1348.1748 DIHED = 1581.0166 VDWAALS = -1239.8310 EEL = -11492.1138 EGB = -2616.3877 1-4 VDW = 610.7514 1-4 EEL = 5954.2354 RESTRAINT = 0.0000 corrected reaction field energy: -4370.055143 surface area = 9252.497 ECAVITY = 9252.497 EDISPER = 0.0000 117 BOND = 502.8895 ANGLE = 1336.6326 DIHED = 1587.7647 VDWAALS = -1276.3152 EEL = -11481.2640 EGB = -2563.5183 1-4 VDW = 612.2845 1-4 EEL = 5895.4941 RESTRAINT = 0.0000 corrected reaction field energy: -4267.878615 surface area = 9171.142 ECAVITY = 9171.142 EDISPER = 0.0000 118 BOND = 501.4946 ANGLE = 1322.0764 DIHED = 1585.3323 VDWAALS = -1277.1228 EEL = -11486.7659 EGB = -2547.9481 1-4 VDW = 605.9536 1-4 EEL = 5894.3968 RESTRAINT = 0.0000 corrected reaction field energy: -4228.771249 surface area = 9205.423 ECAVITY = 9205.423 EDISPER = 0.0000 119 BOND = 524.8950 ANGLE = 1337.4763 DIHED = 1599.6428 VDWAALS = -1265.4185 EEL = -11559.2557 EGB = -2496.7357 1-4 VDW = 613.2455 1-4 EEL = 5902.2518 RESTRAINT = 0.0000 corrected reaction field energy: -4199.583395 surface area = 9056.044 ECAVITY = 9056.044 EDISPER = 0.0000 120 BOND = 535.6462 ANGLE = 1359.8305 DIHED = 1558.6787 VDWAALS = -1260.8922 EEL = -11490.8330 EGB = -2587.7742 1-4 VDW = 607.6378 1-4 EEL = 5930.3353 RESTRAINT = 0.0000 corrected reaction field energy: -4288.111514 surface area = 9100.942 ECAVITY = 9100.942 EDISPER = 0.0000 121 BOND = 488.0145 ANGLE = 1332.8006 DIHED = 1613.6939 VDWAALS = -1244.0922 EEL = -11523.7771 EGB = -2487.4604 1-4 VDW = 612.7698 1-4 EEL = 5878.3813 RESTRAINT = 0.0000 corrected reaction field energy: -4150.238633 surface area = 8922.546 ECAVITY = 8922.546 EDISPER = 0.0000 122 BOND = 486.6832 ANGLE = 1309.0846 DIHED = 1580.8746 VDWAALS = -1239.0492 EEL = -11457.9812 EGB = -2618.8872 1-4 VDW = 610.3572 1-4 EEL = 5964.9765 RESTRAINT = 0.0000 corrected reaction field energy: -4325.010966 surface area = 9047.833 ECAVITY = 9047.833 EDISPER = 0.0000 123 BOND = 526.0086 ANGLE = 1354.1649 DIHED = 1603.3367 VDWAALS = -1263.5610 EEL = -11481.1595 EGB = -2618.2706 1-4 VDW = 594.6791 1-4 EEL = 5977.6541 RESTRAINT = 0.0000 corrected reaction field energy: -4369.099140 surface area = 9193.331 ECAVITY = 9193.331 EDISPER = 0.0000 124 BOND = 517.0499 ANGLE = 1287.2133 DIHED = 1568.3565 VDWAALS = -1251.4214 EEL = -11610.8864 EGB = -2496.8714 1-4 VDW = 604.3709 1-4 EEL = 5960.6807 RESTRAINT = 0.0000 corrected reaction field energy: -4165.533499 surface area = 9029.735 ECAVITY = 9029.735 EDISPER = 0.0000 125 BOND = 508.1607 ANGLE = 1310.4680 DIHED = 1571.0441 VDWAALS = -1266.7998 EEL = -11534.5405 EGB = -2487.9232 1-4 VDW = 594.9217 1-4 EEL = 5867.9414 RESTRAINT = 0.0000 corrected reaction field energy: -4130.888597 surface area = 8923.280 ECAVITY = 8923.280 EDISPER = 0.0000 126 BOND = 537.1471 ANGLE = 1368.8368 DIHED = 1584.9382 VDWAALS = -1261.4973 EEL = -11522.2492 EGB = -2572.0850 1-4 VDW = 611.4356 1-4 EEL = 5957.0989 RESTRAINT = 0.0000 corrected reaction field energy: -4299.293507 surface area = 9033.432 ECAVITY = 9033.432 EDISPER = 0.0000 127 BOND = 533.6054 ANGLE = 1310.3192 DIHED = 1575.6297 VDWAALS = -1276.9322 EEL = -11600.1480 EGB = -2491.2078 1-4 VDW = 610.9064 1-4 EEL = 5939.3046 RESTRAINT = 0.0000 corrected reaction field energy: -4136.891837 surface area = 9111.118 ECAVITY = 9111.118 EDISPER = 0.0000 128 BOND = 516.3586 ANGLE = 1349.0175 DIHED = 1590.8281 VDWAALS = -1267.6992 EEL = -11474.2788 EGB = -2557.5078 1-4 VDW = 601.9572 1-4 EEL = 5890.4420 RESTRAINT = 0.0000 corrected reaction field energy: -4237.559461 surface area = 9110.581 ECAVITY = 9110.581 EDISPER = 0.0000 129 BOND = 533.9427 ANGLE = 1345.1163 DIHED = 1551.9093 VDWAALS = -1252.9442 EEL = -11535.5935 EGB = -2532.3502 1-4 VDW = 610.4250 1-4 EEL = 5980.6326 RESTRAINT = 0.0000 corrected reaction field energy: -4243.406191 surface area = 9082.312 ECAVITY = 9082.312 EDISPER = 0.0000 130 BOND = 493.7613 ANGLE = 1336.9128 DIHED = 1574.3463 VDWAALS = -1241.7367 EEL = -11621.2614 EGB = -2437.8841 1-4 VDW = 620.4098 1-4 EEL = 5923.6521 RESTRAINT = 0.0000 corrected reaction field energy: -4054.367293 surface area = 9149.629 ECAVITY = 9149.629 EDISPER = 0.0000 131 BOND = 525.9488 ANGLE = 1339.6054 DIHED = 1597.0059 VDWAALS = -1269.9026 EEL = -11482.2210 EGB = -2606.0195 1-4 VDW = 598.4196 1-4 EEL = 5944.0603 RESTRAINT = 0.0000 corrected reaction field energy: -4295.074112 surface area = 9221.363 ECAVITY = 9221.363 EDISPER = 0.0000 132 BOND = 527.3042 ANGLE = 1326.4925 DIHED = 1557.2473 VDWAALS = -1237.6878 EEL = -11499.4808 EGB = -2563.5714 1-4 VDW = 602.3111 1-4 EEL = 5898.8736 RESTRAINT = 0.0000 corrected reaction field energy: -4274.971554 surface area = 9233.508 ECAVITY = 9233.508 EDISPER = 0.0000 133 BOND = 471.3089 ANGLE = 1317.4753 DIHED = 1577.2743 VDWAALS = -1249.3837 EEL = -11588.2358 EGB = -2501.7142 1-4 VDW = 616.0592 1-4 EEL = 5911.3183 RESTRAINT = 0.0000 corrected reaction field energy: -4126.679938 surface area = 9015.180 ECAVITY = 9015.180 EDISPER = 0.0000 134 BOND = 525.1618 ANGLE = 1313.0430 DIHED = 1622.5137 VDWAALS = -1277.2598 EEL = -11587.5722 EGB = -2521.3204 1-4 VDW = 595.9712 1-4 EEL = 5979.7304 RESTRAINT = 0.0000 corrected reaction field energy: -4160.951934 surface area = 8917.979 ECAVITY = 8917.979 EDISPER = 0.0000 135 BOND = 492.8793 ANGLE = 1319.1643 DIHED = 1621.4246 VDWAALS = -1281.7477 EEL = -11520.0105 EGB = -2569.6968 1-4 VDW = 617.1347 1-4 EEL = 5961.8760 RESTRAINT = 0.0000 corrected reaction field energy: -4296.974374 surface area = 8999.777 ECAVITY = 8999.777 EDISPER = 0.0000 136 BOND = 510.0322 ANGLE = 1330.7668 DIHED = 1597.6671 VDWAALS = -1267.8212 EEL = -11548.8290 EGB = -2553.1398 1-4 VDW = 589.0410 1-4 EEL = 5966.6892 RESTRAINT = 0.0000 corrected reaction field energy: -4233.853043 surface area = 9167.377 ECAVITY = 9167.377 EDISPER = 0.0000 137 BOND = 529.1149 ANGLE = 1311.1012 DIHED = 1581.1062 VDWAALS = -1261.8074 EEL = -11496.6587 EGB = -2622.8082 1-4 VDW = 617.5795 1-4 EEL = 5983.3649 RESTRAINT = 0.0000 corrected reaction field energy: -4370.794246 surface area = 9141.115 ECAVITY = 9141.115 EDISPER = 0.0000 138 BOND = 524.3997 ANGLE = 1335.1256 DIHED = 1597.0067 VDWAALS = -1284.4203 EEL = -11435.3958 EGB = -2659.9942 1-4 VDW = 586.5989 1-4 EEL = 5973.5580 RESTRAINT = 0.0000 corrected reaction field energy: -4384.257627 surface area = 9107.124 ECAVITY = 9107.124 EDISPER = 0.0000 139 BOND = 521.7491 ANGLE = 1307.5416 DIHED = 1593.8810 VDWAALS = -1253.2470 EEL = -11548.6520 EGB = -2574.4262 1-4 VDW = 614.8639 1-4 EEL = 6008.4425 RESTRAINT = 0.0000 corrected reaction field energy: -4284.633906 surface area = 9139.643 ECAVITY = 9139.643 EDISPER = 0.0000 140 BOND = 515.5030 ANGLE = 1323.5498 DIHED = 1604.9137 VDWAALS = -1238.9134 EEL = -11657.0886 EGB = -2525.1051 1-4 VDW = 612.3754 1-4 EEL = 6034.5918 RESTRAINT = 0.0000 corrected reaction field energy: -4224.528705 surface area = 9090.603 ECAVITY = 9090.603 EDISPER = 0.0000 141 BOND = 532.0334 ANGLE = 1344.9205 DIHED = 1605.1400 VDWAALS = -1264.3084 EEL = -11571.2036 EGB = -2533.2264 1-4 VDW = 591.8885 1-4 EEL = 5952.6138 RESTRAINT = 0.0000 corrected reaction field energy: -4235.907635 surface area = 9144.612 ECAVITY = 9144.612 EDISPER = 0.0000 142 BOND = 487.0359 ANGLE = 1366.0390 DIHED = 1588.4123 VDWAALS = -1249.7132 EEL = -11655.3884 EGB = -2520.6167 1-4 VDW = 608.5283 1-4 EEL = 5990.4180 RESTRAINT = 0.0000 corrected reaction field energy: -4243.693545 surface area = 9166.375 ECAVITY = 9166.375 EDISPER = 0.0000 143 BOND = 508.0901 ANGLE = 1319.9941 DIHED = 1597.8986 VDWAALS = -1271.7326 EEL = -11626.8264 EGB = -2515.8510 1-4 VDW = 598.4903 1-4 EEL = 5990.8544 RESTRAINT = 0.0000 corrected reaction field energy: -4212.270937 surface area = 9142.658 ECAVITY = 9142.658 EDISPER = 0.0000 144 BOND = 510.1859 ANGLE = 1373.2969 DIHED = 1605.6935 VDWAALS = -1239.1571 EEL = -11646.7236 EGB = -2512.4209 1-4 VDW = 587.1371 1-4 EEL = 5980.8920 RESTRAINT = 0.0000 corrected reaction field energy: -4179.261253 surface area = 8976.861 ECAVITY = 8976.861 EDISPER = 0.0000 145 BOND = 496.3196 ANGLE = 1356.5410 DIHED = 1618.9551 VDWAALS = -1242.4258 EEL = -11633.1935 EGB = -2544.8353 1-4 VDW = 598.0743 1-4 EEL = 6003.4511 RESTRAINT = 0.0000 corrected reaction field energy: -4265.913098 surface area = 9116.291 ECAVITY = 9116.291 EDISPER = 0.0000 146 BOND = 548.2415 ANGLE = 1314.4409 DIHED = 1589.9600 VDWAALS = -1238.3905 EEL = -11626.6163 EGB = -2489.8322 1-4 VDW = 599.8256 1-4 EEL = 5957.8014 RESTRAINT = 0.0000 corrected reaction field energy: -4138.261677 surface area = 9194.311 ECAVITY = 9194.311 EDISPER = 0.0000 147 BOND = 498.1110 ANGLE = 1394.0115 DIHED = 1626.2899 VDWAALS = -1289.4945 EEL = -11673.0433 EGB = -2456.4514 1-4 VDW = 598.4613 1-4 EEL = 5985.8956 RESTRAINT = 0.0000 corrected reaction field energy: -4106.937370 surface area = 8946.279 ECAVITY = 8946.279 EDISPER = 0.0000 148 BOND = 498.8967 ANGLE = 1335.7142 DIHED = 1623.2768 VDWAALS = -1284.1542 EEL = -11547.0987 EGB = -2536.5239 1-4 VDW = 602.6885 1-4 EEL = 5958.2203 RESTRAINT = 0.0000 corrected reaction field energy: -4247.566706 surface area = 9119.725 ECAVITY = 9119.725 EDISPER = 0.0000 149 BOND = 518.0306 ANGLE = 1308.8851 DIHED = 1611.6419 VDWAALS = -1243.8190 EEL = -11519.5405 EGB = -2608.2678 1-4 VDW = 596.1343 1-4 EEL = 5971.1366 RESTRAINT = 0.0000 corrected reaction field energy: -4318.314251 surface area = 9026.140 ECAVITY = 9026.140 EDISPER = 0.0000 150 BOND = 544.9349 ANGLE = 1364.7175 DIHED = 1579.4936 VDWAALS = -1279.6284 EEL = -11599.5510 EGB = -2515.9443 1-4 VDW = 574.8171 1-4 EEL = 5934.3964 RESTRAINT = 0.0000 corrected reaction field energy: -4182.455198 surface area = 9015.672 ECAVITY = 9015.672 EDISPER = 0.0000 151 BOND = 517.1668 ANGLE = 1382.1114 DIHED = 1582.1305 VDWAALS = -1250.1833 EEL = -11601.9418 EGB = -2529.5990 1-4 VDW = 608.9382 1-4 EEL = 5964.7741 RESTRAINT = 0.0000 corrected reaction field energy: -4189.916514 surface area = 8970.170 ECAVITY = 8970.170 EDISPER = 0.0000 152 BOND = 508.9134 ANGLE = 1356.4713 DIHED = 1609.4728 VDWAALS = -1251.1134 EEL = -11562.7033 EGB = -2582.8591 1-4 VDW = 605.5218 1-4 EEL = 5997.9854 RESTRAINT = 0.0000 corrected reaction field energy: -4298.257823 surface area = 8991.898 ECAVITY = 8991.898 EDISPER = 0.0000 153 BOND = 554.1357 ANGLE = 1337.2876 DIHED = 1595.2592 VDWAALS = -1259.9074 EEL = -11637.1393 EGB = -2487.4898 1-4 VDW = 614.2619 1-4 EEL = 5966.1124 RESTRAINT = 0.0000 corrected reaction field energy: -4146.363123 surface area = 8999.668 ECAVITY = 8999.668 EDISPER = 0.0000 154 BOND = 553.6820 ANGLE = 1304.9054 DIHED = 1606.7084 VDWAALS = -1267.7210 EEL = -11636.8919 EGB = -2460.3016 1-4 VDW = 594.2081 1-4 EEL = 5947.7676 RESTRAINT = 0.0000 corrected reaction field energy: -4082.402039 surface area = 9042.786 ECAVITY = 9042.786 EDISPER = 0.0000 155 BOND = 521.2318 ANGLE = 1306.8512 DIHED = 1585.4968 VDWAALS = -1249.7011 EEL = -11588.1814 EGB = -2521.0963 1-4 VDW = 601.3216 1-4 EEL = 5982.3511 RESTRAINT = 0.0000 corrected reaction field energy: -4207.842526 surface area = 9104.836 ECAVITY = 9104.836 EDISPER = 0.0000 156 BOND = 510.2341 ANGLE = 1313.0940 DIHED = 1598.4354 VDWAALS = -1231.7556 EEL = -11613.3090 EGB = -2525.8083 1-4 VDW = 596.9735 1-4 EEL = 6006.6882 RESTRAINT = 0.0000 corrected reaction field energy: -4189.618088 surface area = 8991.423 ECAVITY = 8991.423 EDISPER = 0.0000 157 BOND = 534.1668 ANGLE = 1319.7296 DIHED = 1603.2419 VDWAALS = -1276.8041 EEL = -11571.5905 EGB = -2569.1675 1-4 VDW = 584.9761 1-4 EEL = 6042.1677 RESTRAINT = 0.0000 corrected reaction field energy: -4300.199185 surface area = 9296.354 ECAVITY = 9296.354 EDISPER = 0.0000 158 BOND = 497.7045 ANGLE = 1307.7424 DIHED = 1607.9467 VDWAALS = -1228.8981 EEL = -11764.0375 EGB = -2415.7182 1-4 VDW = 604.5003 1-4 EEL = 6015.3415 RESTRAINT = 0.0000 corrected reaction field energy: -4008.558851 surface area = 8999.154 ECAVITY = 8999.154 EDISPER = 0.0000 159 BOND = 529.0497 ANGLE = 1345.4298 DIHED = 1578.5990 VDWAALS = -1255.4846 EEL = -11592.1104 EGB = -2488.4476 1-4 VDW = 624.7699 1-4 EEL = 5939.4007 RESTRAINT = 0.0000 corrected reaction field energy: -4135.708702 surface area = 9033.417 ECAVITY = 9033.417 EDISPER = 0.0000 160 BOND = 514.0231 ANGLE = 1342.5409 DIHED = 1567.1372 VDWAALS = -1261.3091 EEL = -11602.5127 EGB = -2503.1362 1-4 VDW = 600.6536 1-4 EEL = 5972.8249 RESTRAINT = 0.0000 corrected reaction field energy: -4169.384853 surface area = 9070.635 ECAVITY = 9070.635 EDISPER = 0.0000 161 BOND = 494.1506 ANGLE = 1305.7948 DIHED = 1579.4281 VDWAALS = -1292.0024 EEL = -11612.7752 EGB = -2551.9853 1-4 VDW = 616.8919 1-4 EEL = 6052.0964 RESTRAINT = 0.0000 corrected reaction field energy: -4234.509949 surface area = 9120.206 ECAVITY = 9120.206 EDISPER = 0.0000 162 BOND = 498.5440 ANGLE = 1310.2837 DIHED = 1572.7004 VDWAALS = -1253.4415 EEL = -11657.3970 EGB = -2472.8288 1-4 VDW = 601.5092 1-4 EEL = 5988.3260 RESTRAINT = 0.0000 corrected reaction field energy: -4118.833806 surface area = 9170.150 ECAVITY = 9170.150 EDISPER = 0.0000 163 BOND = 540.4122 ANGLE = 1349.8512 DIHED = 1596.5519 VDWAALS = -1261.7376 EEL = -11660.7772 EGB = -2496.3624 1-4 VDW = 592.8708 1-4 EEL = 5990.8133 RESTRAINT = 0.0000 corrected reaction field energy: -4166.419215 surface area = 9130.876 ECAVITY = 9130.876 EDISPER = 0.0000 164 BOND = 505.2309 ANGLE = 1304.8236 DIHED = 1606.8555 VDWAALS = -1270.4348 EEL = -11573.6640 EGB = -2566.2353 1-4 VDW = 614.0414 1-4 EEL = 6000.5261 RESTRAINT = 0.0000 corrected reaction field energy: -4275.310239 surface area = 8939.038 ECAVITY = 8939.038 EDISPER = 0.0000 165 BOND = 537.8962 ANGLE = 1382.2954 DIHED = 1590.5102 VDWAALS = -1272.5661 EEL = -11636.9305 EGB = -2481.5582 1-4 VDW = 586.2587 1-4 EEL = 5957.9592 RESTRAINT = 0.0000 corrected reaction field energy: -4135.850450 surface area = 9010.325 ECAVITY = 9010.325 EDISPER = 0.0000 166 BOND = 482.9664 ANGLE = 1370.8526 DIHED = 1590.9412 VDWAALS = -1264.5424 EEL = -11617.4331 EGB = -2508.1606 1-4 VDW = 619.7872 1-4 EEL = 5999.5036 RESTRAINT = 0.0000 corrected reaction field energy: -4184.913394 surface area = 9150.847 ECAVITY = 9150.847 EDISPER = 0.0000 167 BOND = 495.0731 ANGLE = 1345.2595 DIHED = 1571.0989 VDWAALS = -1276.6387 EEL = -11632.9281 EGB = -2508.6149 1-4 VDW = 592.4471 1-4 EEL = 6012.1303 RESTRAINT = 0.0000 corrected reaction field energy: -4166.036579 surface area = 9185.055 ECAVITY = 9185.055 EDISPER = 0.0000 168 BOND = 522.3356 ANGLE = 1393.7523 DIHED = 1599.5685 VDWAALS = -1287.3089 EEL = -11588.5181 EGB = -2477.6793 1-4 VDW = 592.9930 1-4 EEL = 5923.8712 RESTRAINT = 0.0000 corrected reaction field energy: -4109.030879 surface area = 9112.413 ECAVITY = 9112.413 EDISPER = 0.0000 169 BOND = 550.4015 ANGLE = 1318.2954 DIHED = 1608.9112 VDWAALS = -1249.4094 EEL = -11564.9259 EGB = -2555.0221 1-4 VDW = 603.7797 1-4 EEL = 5929.9485 RESTRAINT = 0.0000 corrected reaction field energy: -4243.097364 surface area = 9202.170 ECAVITY = 9202.170 EDISPER = 0.0000 170 BOND = 548.3706 ANGLE = 1339.6397 DIHED = 1594.3696 VDWAALS = -1256.2039 EEL = -11549.3139 EGB = -2558.3524 1-4 VDW = 606.9466 1-4 EEL = 5957.6597 RESTRAINT = 0.0000 corrected reaction field energy: -4276.796832 surface area = 9242.309 ECAVITY = 9242.309 EDISPER = 0.0000 171 BOND = 488.6308 ANGLE = 1331.8177 DIHED = 1581.2290 VDWAALS = -1249.9776 EEL = -11527.3318 EGB = -2579.8871 1-4 VDW = 601.2718 1-4 EEL = 5943.6330 RESTRAINT = 0.0000 corrected reaction field energy: -4291.989540 surface area = 9288.705 ECAVITY = 9288.705 EDISPER = 0.0000 172 BOND = 512.4014 ANGLE = 1288.3343 DIHED = 1599.2035 VDWAALS = -1239.1108 EEL = -11599.6899 EGB = -2568.0855 1-4 VDW = 612.0859 1-4 EEL = 6019.6287 RESTRAINT = 0.0000 corrected reaction field energy: -4266.466670 surface area = 9264.314 ECAVITY = 9264.314 EDISPER = 0.0000 173 BOND = 494.7584 ANGLE = 1310.4909 DIHED = 1607.0203 VDWAALS = -1246.5434 EEL = -11609.1091 EGB = -2590.9287 1-4 VDW = 608.0339 1-4 EEL = 6037.4653 RESTRAINT = 0.0000 corrected reaction field energy: -4328.297507 surface area = 9298.154 ECAVITY = 9298.154 EDISPER = 0.0000 174 BOND = 527.6638 ANGLE = 1323.1661 DIHED = 1597.0573 VDWAALS = -1262.4993 EEL = -11533.9392 EGB = -2605.7923 1-4 VDW = 595.0181 1-4 EEL = 6006.5166 RESTRAINT = 0.0000 corrected reaction field energy: -4304.099018 surface area = 9252.626 ECAVITY = 9252.626 EDISPER = 0.0000 175 BOND = 522.7990 ANGLE = 1317.7208 DIHED = 1568.8623 VDWAALS = -1267.3266 EEL = -11610.2948 EGB = -2522.6927 1-4 VDW = 601.9111 1-4 EEL = 5986.3211 RESTRAINT = 0.0000 corrected reaction field energy: -4192.049109 surface area = 9103.128 ECAVITY = 9103.128 EDISPER = 0.0000 176 BOND = 531.4623 ANGLE = 1340.8446 DIHED = 1599.2382 VDWAALS = -1270.2697 EEL = -11529.4835 EGB = -2578.1325 1-4 VDW = 592.1731 1-4 EEL = 5986.1941 RESTRAINT = 0.0000 corrected reaction field energy: -4298.574031 surface area = 9176.926 ECAVITY = 9176.926 EDISPER = 0.0000 177 BOND = 518.9229 ANGLE = 1354.0716 DIHED = 1571.8425 VDWAALS = -1251.1267 EEL = -11589.2055 EGB = -2519.4512 1-4 VDW = 620.5093 1-4 EEL = 5958.8832 RESTRAINT = 0.0000 corrected reaction field energy: -4191.974460 surface area = 9218.370 ECAVITY = 9218.370 EDISPER = 0.0000 178 BOND = 509.4081 ANGLE = 1340.1437 DIHED = 1593.8186 VDWAALS = -1268.9440 EEL = -11460.2424 EGB = -2614.8142 1-4 VDW = 610.9674 1-4 EEL = 5958.2966 RESTRAINT = 0.0000 corrected reaction field energy: -4338.012533 surface area = 9245.428 ECAVITY = 9245.428 EDISPER = 0.0000 179 BOND = 537.8272 ANGLE = 1322.7728 DIHED = 1580.7532 VDWAALS = -1225.8833 EEL = -11532.3941 EGB = -2610.7642 1-4 VDW = 595.7012 1-4 EEL = 5989.5052 RESTRAINT = 0.0000 corrected reaction field energy: -4358.535974 surface area = 9366.064 ECAVITY = 9366.064 EDISPER = 0.0000 180 BOND = 494.0673 ANGLE = 1325.9270 DIHED = 1584.0225 VDWAALS = -1244.4791 EEL = -11505.4978 EGB = -2584.2431 1-4 VDW = 605.5579 1-4 EEL = 5982.7001 RESTRAINT = 0.0000 corrected reaction field energy: -4303.422485 surface area = 9333.895 ECAVITY = 9333.895 EDISPER = 0.0000 181 BOND = 536.0836 ANGLE = 1331.0388 DIHED = 1615.1868 VDWAALS = -1253.0054 EEL = -11546.8611 EGB = -2581.5219 1-4 VDW = 595.2594 1-4 EEL = 5975.5056 RESTRAINT = 0.0000 corrected reaction field energy: -4302.718442 surface area = 9224.296 ECAVITY = 9224.296 EDISPER = 0.0000 182 BOND = 541.1102 ANGLE = 1370.5493 DIHED = 1608.3510 VDWAALS = -1269.6048 EEL = -11492.3914 EGB = -2623.0125 1-4 VDW = 591.7184 1-4 EEL = 5979.8036 RESTRAINT = 0.0000 corrected reaction field energy: -4352.481068 surface area = 9160.882 ECAVITY = 9160.882 EDISPER = 0.0000 183 BOND = 494.9259 ANGLE = 1334.9558 DIHED = 1583.2554 VDWAALS = -1270.9551 EEL = -11466.2713 EGB = -2622.1850 1-4 VDW = 603.4735 1-4 EEL = 5978.0755 RESTRAINT = 0.0000 corrected reaction field energy: -4365.515682 surface area = 9228.717 ECAVITY = 9228.717 EDISPER = 0.0000 184 BOND = 511.0756 ANGLE = 1362.9076 DIHED = 1597.4810 VDWAALS = -1264.5301 EEL = -11515.2651 EGB = -2607.5082 1-4 VDW = 599.0535 1-4 EEL = 5982.6650 RESTRAINT = 0.0000 corrected reaction field energy: -4352.014054 surface area = 9331.309 ECAVITY = 9331.309 EDISPER = 0.0000 185 BOND = 492.5274 ANGLE = 1360.9423 DIHED = 1584.5051 VDWAALS = -1247.3915 EEL = -11528.8568 EGB = -2592.7887 1-4 VDW = 596.3803 1-4 EEL = 5967.2090 RESTRAINT = 0.0000 corrected reaction field energy: -4294.961384 surface area = 9189.791 ECAVITY = 9189.791 EDISPER = 0.0000 186 BOND = 524.3038 ANGLE = 1330.3596 DIHED = 1581.8947 VDWAALS = -1258.8214 EEL = -11517.6923 EGB = -2607.7782 1-4 VDW = 598.5657 1-4 EEL = 5997.2763 RESTRAINT = 0.0000 corrected reaction field energy: -4312.767792 surface area = 9209.124 ECAVITY = 9209.124 EDISPER = 0.0000 187 BOND = 519.1479 ANGLE = 1299.7948 DIHED = 1565.2023 VDWAALS = -1277.8958 EEL = -11517.2042 EGB = -2584.4239 1-4 VDW = 607.2412 1-4 EEL = 6011.9904 RESTRAINT = 0.0000 corrected reaction field energy: -4259.904490 surface area = 9083.000 ECAVITY = 9083.000 EDISPER = 0.0000 188 BOND = 509.3949 ANGLE = 1289.5574 DIHED = 1579.3029 VDWAALS = -1281.9118 EEL = -11548.5852 EGB = -2578.3351 1-4 VDW = 603.9206 1-4 EEL = 6026.1273 RESTRAINT = 0.0000 corrected reaction field energy: -4242.887846 surface area = 9047.281 ECAVITY = 9047.281 EDISPER = 0.0000 189 BOND = 512.2610 ANGLE = 1336.9207 DIHED = 1576.3308 VDWAALS = -1265.2206 EEL = -11611.6737 EGB = -2500.4331 1-4 VDW = 606.2893 1-4 EEL = 5979.3030 RESTRAINT = 0.0000 corrected reaction field energy: -4171.461923 surface area = 9194.723 ECAVITY = 9194.723 EDISPER = 0.0000 190 BOND = 541.7479 ANGLE = 1295.6936 DIHED = 1570.2861 VDWAALS = -1258.6719 EEL = -11607.6758 EGB = -2518.6152 1-4 VDW = 593.9602 1-4 EEL = 5993.0576 RESTRAINT = 0.0000 corrected reaction field energy: -4179.038147 surface area = 9085.304 ECAVITY = 9085.304 EDISPER = 0.0000 191 BOND = 557.7127 ANGLE = 1327.3236 DIHED = 1587.9685 VDWAALS = -1251.8844 EEL = -11514.3979 EGB = -2537.2651 1-4 VDW = 586.0755 1-4 EEL = 5907.5505 RESTRAINT = 0.0000 corrected reaction field energy: -4220.892406 surface area = 9169.660 ECAVITY = 9169.660 EDISPER = 0.0000 192 BOND = 488.8073 ANGLE = 1336.9919 DIHED = 1582.9520 VDWAALS = -1237.8144 EEL = -11580.0772 EGB = -2565.8646 1-4 VDW = 602.1249 1-4 EEL = 5997.8176 RESTRAINT = 0.0000 corrected reaction field energy: -4260.885991 surface area = 9174.233 ECAVITY = 9174.233 EDISPER = 0.0000 193 BOND = 483.2082 ANGLE = 1328.7259 DIHED = 1598.4339 VDWAALS = -1263.2686 EEL = -11558.2993 EGB = -2583.0604 1-4 VDW = 598.8530 1-4 EEL = 6028.0429 RESTRAINT = 0.0000 corrected reaction field energy: -4289.535705 surface area = 9056.478 ECAVITY = 9056.478 EDISPER = 0.0000 194 BOND = 517.6453 ANGLE = 1363.0737 DIHED = 1557.6004 VDWAALS = -1259.4506 EEL = -11460.4443 EGB = -2601.4151 1-4 VDW = 591.1552 1-4 EEL = 5927.2301 RESTRAINT = 0.0000 corrected reaction field energy: -4302.284139 surface area = 9141.381 ECAVITY = 9141.381 EDISPER = 0.0000 195 BOND = 510.5419 ANGLE = 1363.6640 DIHED = 1600.4316 VDWAALS = -1266.0586 EEL = -11464.3091 EGB = -2631.3895 1-4 VDW = 598.5990 1-4 EEL = 5975.8144 RESTRAINT = 0.0000 corrected reaction field energy: -4348.103485 surface area = 9265.474 ECAVITY = 9265.474 EDISPER = 0.0000 196 BOND = 527.8794 ANGLE = 1312.7414 DIHED = 1572.4780 VDWAALS = -1276.6782 EEL = -11556.7545 EGB = -2561.9107 1-4 VDW = 614.0587 1-4 EEL = 5992.5732 RESTRAINT = 0.0000 corrected reaction field energy: -4242.818230 surface area = 9066.654 ECAVITY = 9066.654 EDISPER = 0.0000 197 BOND = 513.4696 ANGLE = 1341.0091 DIHED = 1599.1786 VDWAALS = -1265.6181 EEL = -11540.6428 EGB = -2567.4931 1-4 VDW = 599.6026 1-4 EEL = 6000.7846 RESTRAINT = 0.0000 corrected reaction field energy: -4260.137997 surface area = 9182.509 ECAVITY = 9182.509 EDISPER = 0.0000 198 BOND = 524.5005 ANGLE = 1388.3496 DIHED = 1585.8890 VDWAALS = -1296.9442 EEL = -11433.0566 EGB = -2582.2180 1-4 VDW = 606.3528 1-4 EEL = 5928.3603 RESTRAINT = 0.0000 corrected reaction field energy: -4278.802274 surface area = 9145.104 ECAVITY = 9145.104 EDISPER = 0.0000 199 BOND = 497.3395 ANGLE = 1281.3714 DIHED = 1622.1532 VDWAALS = -1254.7082 EEL = -11568.4362 EGB = -2594.4245 1-4 VDW = 592.9922 1-4 EEL = 6027.8152 RESTRAINT = 0.0000 corrected reaction field energy: -4312.138229 surface area = 9138.365 ECAVITY = 9138.365 EDISPER = 0.0000 200 BOND = 532.4853 ANGLE = 1368.7344 DIHED = 1581.8930 VDWAALS = -1248.0423 EEL = -11634.4990 EGB = -2438.7134 1-4 VDW = 589.7980 1-4 EEL = 5917.8169 RESTRAINT = 0.0000 corrected reaction field energy: -4071.094738 surface area = 8999.276 ECAVITY = 8999.276 EDISPER = 0.0000