IFLAB-ZINC04063171 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2410 -0.6500 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.1200 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 1.4360 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.0730 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.1310 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -2.7890 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -4.5190 -0.0410 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -4.1800 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -2.8980 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -5.1390 -0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -6.4490 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -6.7910 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -7.4890 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -8.8250 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -9.4920 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -9.0860 2.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -10.8320 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -10.8250 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -9.4830 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -9.0690 -2.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9130 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -0.5700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -0.3660 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 3.1530 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 -2.3360 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -4.8660 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -7.3720 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -7.3630 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -10.9120 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -11.6460 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -10.9010 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -11.6340 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 M END