IBS-ZINC04090090 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 61 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2440 -0.0640 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -0.0730 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.0230 -1.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4160 -2.3260 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -2.5090 -2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -2.9530 -2.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -2.4510 -3.7630 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -2.9230 -4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -2.7470 -6.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -1.7080 -6.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -3.1230 -7.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -2.9470 -8.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -3.8530 -8.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -4.8920 -8.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -3.4770 -7.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -3.6530 -6.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -3.6800 -9.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.9070 -10.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -4.3830 -9.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 -4.2140 -10.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7980 -3.1760 -11.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -4.5820 -10.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -5.6200 -10.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 -3.6700 -9.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1810 -4.4060 -11.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -5.1130 -12.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -5.8220 -11.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -0.4250 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.0140 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -0.5060 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -2.0960 -3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -2.3460 -5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -3.9780 -4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -2.4780 -7.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -4.1620 -7.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -1.9080 -8.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -3.2150 -9.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -2.4380 -7.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -4.1230 -7.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -4.6920 -5.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -3.3860 -5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -5.0010 -9.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -3.7960 -8.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -2.6320 -9.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7550 -3.9320 -9.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8450 -5.0560 -12.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2020 -4.6680 -11.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 -3.3680 -12.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -2.3410 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -5.1260 -13.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -2.6070 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -2.3480 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -5.7190 -13.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 59 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 57 59 1 0 0 0 0 58 61 1 0 0 0 0 59 60 1 0 0 0 0 M END