IBS-ZINC02133534 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.1340 1.7390 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.2240 0.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4360 -0.0210 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -0.5400 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -1.2380 1.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -0.3620 0.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -0.9640 1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 0.0150 2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -0.5060 3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.5990 3.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -0.2810 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -1.2460 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -1.6590 -1.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 -1.7830 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -2.7550 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 -3.2430 -1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -2.7590 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -1.7880 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -1.3050 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -0.3440 0.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 0.0100 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 0.1790 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 1.0150 1.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.0670 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 2.2690 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 2.0630 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 0.2100 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -1.8790 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -1.2440 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 0.9580 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 0.2480 3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -3.1350 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -4.0000 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7090 -3.1410 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -1.4230 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 0.2470 4.7580 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 11 12 1 0 0 0 0 11 22 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 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 36 -1 M END