OTAVA-ZINC02678708 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 0 0 0 0 0 0999 V2000 0.4380 0.6720 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.0130 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -1.1420 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -0.5050 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 0.0200 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -0.4140 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -1.3810 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -1.9170 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -1.4810 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -1.7940 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 -1.1330 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8180 -1.7970 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0030 -2.8990 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8620 -1.1360 1.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2180 -1.6440 1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4190 -2.8250 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8590 -4.8040 3.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9330 -2.5850 2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 0.0230 1.6920 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7630 0.8760 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9630 0.8220 2.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 1.9730 3.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5770 3.2190 3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 4.2720 3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 4.0790 4.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 2.8330 4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 1.7760 3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 1.0960 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 1.4890 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -0.0260 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.7400 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.7520 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -1.9150 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.6250 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 0.7740 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 0.0120 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -2.6710 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -1.9120 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 -2.7050 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6750 -0.2430 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8680 -0.8060 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4590 -1.9420 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6790 -3.6090 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3320 -2.5150 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7320 -4.6390 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0640 -5.4400 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8330 -5.2520 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9360 -1.7020 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8030 -2.3120 3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8630 -3.1410 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 0.2840 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6090 3.3810 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3310 5.2420 4.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 4.9000 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 2.6850 4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 0.8080 3.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7880 -3.4710 2.3950 N 0 3 0 0 0 0 0 0 0 0 0 0 -11.8980 -3.6730 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 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 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 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 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 57 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 57 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 51 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 27 2 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END