IFLAB-ZINC04497655 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.5680 -0.8800 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0210 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.6190 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -2.0010 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -2.6100 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -1.8370 -3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -0.4520 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 0.1580 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 1.5150 -1.9750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 2.2490 -3.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -2.4560 -4.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -1.7390 -5.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -2.8120 -6.5710 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0560 -2.6140 -7.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -4.0980 -5.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -3.7810 -4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -4.6040 -3.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -2.8970 -7.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -3.3590 -8.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -3.7050 -9.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -3.4450 -9.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -3.0480 -9.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -3.1300 -9.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -3.6050 -11.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -4.0010 -11.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -3.9170 -10.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -4.5090 -13.0230 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0350 -4.5780 -13.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -4.8570 -13.4630 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3340 -1.5060 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -1.5130 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -0.2770 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -2.6040 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -3.6870 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 0.1490 -3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 1.9940 -3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 3.3170 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 1.9950 -3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -0.9780 -5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -1.2840 -5.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -4.9430 -6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 -4.3040 -5.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -2.6200 -7.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -2.6770 -8.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -2.8230 -9.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -3.6680 -11.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -4.2220 -11.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 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 17 2 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 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 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END