IFLAB-ZINC04302969 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0810 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0680 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -5.0360 -1.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0780 -5.3990 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -4.7420 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -6.4200 -3.1920 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -6.7690 -4.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -6.5060 -3.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -7.3470 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -6.2450 -0.6060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8180 -5.9890 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -6.3040 0.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -5.0090 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -4.6420 2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -7.4450 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -7.3280 2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -8.4560 3.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -9.7020 3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -9.8220 1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -8.6970 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -10.9100 3.8840 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1170 -10.8050 4.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -12.0080 3.4510 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1640 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6250 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6020 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -4.1390 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -4.2470 -3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -8.1700 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -7.7010 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -6.3550 3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -8.3660 4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -10.7970 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -8.7910 0.0340 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 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 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 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 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