IFLAB-ZINC04315589 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8480 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -2.3970 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -3.7690 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.5960 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -4.0510 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.6790 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -6.0920 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -6.5830 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -5.7960 -2.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -7.8980 -1.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -8.3750 -3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -9.8950 -3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -10.4850 -4.7840 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -12.2120 -4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -13.1650 -5.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -13.0210 -6.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -14.3800 -4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -14.1150 -3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -12.7950 -3.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -15.7060 -5.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -16.8490 -4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 -18.0840 -5.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -18.1910 -6.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -17.0630 -7.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -15.8210 -6.8380 C 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 0.5120 -0.3560 -0.8950 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 -3.6390 -1.7520 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -4.1970 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.6980 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.2540 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -6.5600 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -6.3510 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -8.5280 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -7.9070 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -8.1160 -3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -10.3630 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -10.1540 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -14.8430 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -16.7660 -3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -18.9680 -4.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -19.1600 -7.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -17.1540 -8.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -14.9410 -7.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 M END