IBS-ZINC02210563 MOE2007 3D Structure written by MMmdl. 43 45 0 0 0 0 0 0 0 0999 V2000 -4.7360 3.3480 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 3.4170 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 4.6570 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 4.7540 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 3.5620 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 2.3090 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 2.2370 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 1.3410 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 2.0110 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 3.3530 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 4.0950 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 1.3060 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -0.0460 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -0.6130 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -0.0070 0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 1.9360 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 1.1450 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0610 2.0660 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 1.2550 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8080 1.3800 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8290 2.9870 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 3.3780 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 4.1850 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 2.4260 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 5.5740 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 5.7230 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 1.2650 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -1.6970 0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 2.9420 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 0.5140 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 0.4900 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 2.7100 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 2.7280 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 0.5810 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4620 0.6670 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0230 0.6610 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6320 2.0880 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6080 0.8740 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 3.6490 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 3.5890 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 2.3120 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5730 2.1610 -0.0420 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3970 2.8170 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 42 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 42 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END