@MOLECULE BGF 41 43 1 0 0 SMALL bcc @ATOM 1 CA 1.0990 -0.9610 0.0060 cc 1 BGF 0.2062 2 CB 0.7010 -2.2660 0.0000 cc 1 BGF -0.2056 3 CB' -0.7010 -2.2660 -0.0010 cd 1 BGF -0.2055 4 CA' -1.0990 -0.9610 -0.0050 cd 1 BGF 0.2062 5 O1 0.0000 -0.1820 0.0000 os 1 BGF -0.4108 6 C1 2.4940 -0.4840 0.0130 cd 1 BGF -0.0348 7 C2 2.8530 0.6210 0.7920 cd 1 BGF -0.1280 8 C3 4.1460 1.0610 0.7980 cc 1 BGF -0.0972 9 C4 5.1100 0.4080 0.0260 cc 1 BGF -0.1966 10 C5 4.7520 -0.6930 -0.7570 cc 1 BGF -0.0851 11 C6 3.4600 -1.1370 -0.7600 cd 1 BGF -0.1419 12 C7 6.5090 0.8850 0.0330 c2 1 BGF 0.3050 13 N1 6.7710 2.1760 0.2340 nh 1 BGF -0.8233 14 N2 7.5070 0.0240 -0.1600 nh 1 BGF -0.8229 15 C1' -2.4940 -0.4840 -0.0120 cc 1 BGF -0.0348 16 C2' -2.8530 0.6190 -0.7930 cc 1 BGF -0.1279 17 C3' -4.1460 1.0600 -0.7990 cd 1 BGF -0.0975 18 C4' -5.1100 0.4090 -0.0260 cd 1 BGF -0.1966 19 C5' -4.7520 -0.6940 0.7550 cd 1 BGF -0.0848 20 C6' -3.4610 -1.1390 0.7580 cc 1 BGF -0.1420 21 C7' -6.5080 0.8860 -0.0330 c2 1 BGF 0.3049 22 N1' -7.5070 0.0260 0.1630 nh 1 BGF -0.8231 23 N2' -6.7710 2.1770 -0.2350 nh 1 BGF -0.8231 24 HB 1.3440 -3.1340 0.0020 ha 1 BGF 0.1561 25 HB' -1.3440 -3.1330 -0.0030 ha 1 BGF 0.1561 26 H2 2.1070 1.1250 1.3890 ha 1 BGF 0.1395 27 H3 4.4220 1.9140 1.4000 ha 1 BGF 0.1116 28 H5 5.4980 -1.1970 -1.3530 ha 1 BGF 0.1099 29 H6 3.1840 -1.9900 -1.3620 ha 1 BGF 0.1218 30 HN11 6.0440 2.8030 0.3750 hn 1 BGF 0.4055 31 HN12 7.6890 2.4890 0.2380 hn 1 BGF 0.3906 32 HN21 8.4250 0.3380 -0.1560 hn 1 BGF 0.3905 33 HN22 7.3160 -0.9160 -0.3020 hn 1 BGF 0.4039 34 H2' -2.1070 1.1230 -1.3900 ha 1 BGF 0.1395 35 H3' -4.4220 1.9120 -1.4020 ha 1 BGF 0.1119 36 H5' -5.4980 -1.1970 1.3520 ha 1 BGF 0.1098 37 H6' -3.1850 -1.9910 1.3610 ha 1 BGF 0.1218 38 H1'1 -7.3160 -0.9140 0.3100 hn 1 BGF 0.4039 39 H1'2 -8.4250 0.3390 0.1580 hn 1 BGF 0.3905 40 H2'1 -7.6890 2.4900 -0.2390 hn 1 BGF 0.3905 41 H2'2 -6.0440 2.8030 -0.3770 hn 1 BGF 0.4055 @BOND 1 1 2 1 2 1 5 1 3 1 6 2 4 2 3 2 5 2 24 1 6 3 4 1 7 3 25 1 8 4 5 1 9 4 15 2 10 6 7 1 11 6 11 1 12 7 8 2 13 7 26 1 14 8 9 1 15 8 27 1 16 9 10 1 17 9 12 2 18 10 11 2 19 10 28 1 20 11 29 1 21 12 13 1 22 12 14 1 23 13 30 1 24 13 31 1 25 14 32 1 26 14 33 1 27 15 16 1 28 15 20 1 29 16 17 2 30 16 34 1 31 17 18 1 32 17 35 1 33 18 19 1 34 18 21 2 35 19 20 2 36 19 36 1 37 20 37 1 38 21 22 1 39 21 23 1 40 22 38 1 41 22 39 1 42 23 40 1 43 23 41 1 @SUBSTRUCTURE 1 BGF 1 TEMP 0 **** **** 0 ROOT