@MOLECULE agJJJ.pdb 35 35 0 0 0 SMALL GASTEIGER Energy = 0 @ATOM 1 N 183.0060 52.4640 8.5280 N.4 1 HIP1 0.3838 2 H1 182.4500 52.8440 9.3720 H 1 HIP1 -0.0894 3 H2 182.6620 53.0640 7.7380 H 1 HIP1 -0.0894 4 H3 182.8180 51.4310 8.4960 H 1 HIP1 -0.0894 5 CA 184.4520 52.6210 8.4260 C.3 1 HIP1 -0.0174 6 HA1 184.6840 53.6410 8.4860 H 1 HIP1 0.0142 7 HA2 184.7800 52.1930 7.4600 H 1 HIP1 0.0142 8 C 185.1840 51.8910 9.5540 C.2 1 HIP1 0.1961 9 O 184.8630 52.1340 10.7210 O.2 1 HIP1 -0.2779 10 N 186.2530 51.0070 9.1410 N.am 2 HIP2 -0.3052 11 H 186.4230 50.7650 8.0640 H 2 HIP2 0.1494 12 CA 187.1590 50.5600 10.1610 C.3 2 HIP2 0.1046 13 HA 187.1840 51.2680 11.0080 H 2 HIP2 0.0598 14 CB 186.8080 49.1030 10.6060 C.3 2 HIP2 0.0159 15 HB1 186.6950 48.4320 9.7350 H 2 HIP2 0.0351 16 HB2 187.7040 48.6660 11.1150 H 2 HIP2 0.0351 17 CG 185.6490 48.8670 11.5770 C.ar 2 HIP2 0.0353 18 ND1 185.9690 48.3630 12.8700 N.ar 2 HIP2 -0.3497 19 HD1 186.9170 48.0710 13.1560 H 2 HIP2 0.1664 20 CE1 184.7660 48.4260 13.4770 C.ar 2 HIP2 0.0701 21 HE1 184.6780 48.1590 14.5360 H 2 HIP2 0.1006 22 NE2 183.6850 48.8320 12.7380 N.ar 2 HIP2 -0.3522 23 HE2 182.7010 48.9340 13.0190 H 2 HIP2 0.1662 24 CD2 184.2850 49.0790 11.4930 C.ar 2 HIP2 0.0222 25 HD2 183.7650 49.4030 10.5860 H 2 HIP2 0.0825 26 C 188.6190 50.6040 9.6660 C.2 2 HIP2 0.2342 27 O 188.9740 50.3870 8.5190 O.2 2 HIP2 -0.2738 28 N 189.5400 50.8690 10.7820 N.am 3 HIP3 -0.3032 29 H 189.1750 51.1310 11.7920 H 3 HIP3 0.1493 30 CA 190.9250 50.6810 10.4430 C.3 3 HIP3 0.1133 31 HA1 191.2720 51.5570 9.9770 H 3 HIP3 0.0579 32 HA2 191.0620 49.7940 9.7930 H 3 HIP3 0.0579 33 C 191.7670 50.4170 11.6790 C.2 3 HIP3 0.3727 34 OC1 191.1190 50.3970 12.8750 O.co2 3 HIP3 -0.2446 35 OC2 193.0990 50.2220 11.4880 O.co2 3 HIP3 -0.2446 @BOND 1 7 5 1 2 3 1 1 3 11 10 1 4 5 6 1 5 5 1 1 6 5 8 1 7 4 1 1 8 27 26 2 9 1 2 1 10 10 8 am 11 10 12 1 12 8 9 2 13 26 12 1 14 26 28 am 15 15 14 1 16 32 30 1 17 31 30 1 18 12 14 1 19 12 13 1 20 30 28 1 21 30 33 1 22 25 24 1 23 14 16 1 24 14 17 1 25 28 29 1 26 35 33 ar 27 24 17 ar 28 24 22 ar 29 17 18 ar 30 33 34 ar 31 22 23 1 32 22 20 ar 33 18 19 1 34 18 20 ar 35 20 21 1