IBS-ZINC02127869 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 0.2430 2.8000 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 1.5540 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 0.8610 1.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3880 1.6060 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -0.1700 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 0.1590 2.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1740 -0.5150 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -0.6860 3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 -0.2540 3.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.9060 3.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -2.1590 2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -2.8920 4.2810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9000 -2.3320 5.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -3.8830 4.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -3.8080 6.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -4.7020 6.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -5.6800 5.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -5.7610 4.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -4.8660 3.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -3.6580 3.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -3.8230 2.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 1.0410 2.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 2.1490 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 2.9730 4.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 2.7130 4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 3.5900 5.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 3.3560 5.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 2.2390 4.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 1.3580 4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 1.6030 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 0.6910 3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -0.3140 2.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 3.4930 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 3.3240 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 2.5560 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 0.8390 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 1.8550 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 0.3040 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -0.6230 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -0.9730 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -3.0520 6.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -4.6340 7.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -6.3780 5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -6.5230 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -4.9420 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 2.3120 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 4.4600 5.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 4.0450 5.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 2.0560 4.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 0.4840 3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -4.0370 4.5590 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 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 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 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 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 M CHG 1 51 -1 M END