IBS-ZINC02108237 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.2690 -0.7390 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -0.0630 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -0.7720 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -2.1660 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -2.8510 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -2.1460 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.7940 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -2.1270 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -2.7540 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -0.7180 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -0.0050 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 0.1340 -1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 0.8470 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 1.2080 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 1.0820 -2.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2880 1.7750 -2.4960 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2840 2.5250 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5200 2.4490 -3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0880 3.7080 -3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3010 4.3260 -5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9460 3.6840 -6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 2.4250 -6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 1.8090 -4.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3890 0.7790 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 -0.3900 -2.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.3580 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -2.8580 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 -2.0920 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 1.0170 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -0.2510 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -0.5780 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 0.9850 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 0.7070 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -0.8560 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 0.7930 -3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3650 4.2100 -2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7450 5.3100 -5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1130 4.1660 -7.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 1.9230 -7.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 0.8270 -4.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -4.7280 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -4.7110 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -4.7250 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 -1.4690 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 -2.7660 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 -1.4590 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6650 1.1900 -2.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3360 0.5140 -2.0080 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 12 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 M END