OTAVA-ZINC01935708 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.7810 -2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -0.6000 -1.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -1.0750 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -1.8280 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 -2.3280 -3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 -1.1360 -4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -0.3820 -4.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 0.1180 -3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -0.6310 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -0.0570 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -0.3220 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -1.0400 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -1.1010 2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -0.2810 3.6840 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 0.1600 3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 0.8440 4.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 1.0640 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 0.6240 2.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -1.6510 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -2.9760 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -3.5390 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -2.7920 -2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -1.4770 -2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 -0.9020 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -1.7440 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 -1.1580 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -2.6770 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -2.8640 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -2.9970 -3.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 -0.4660 -3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3740 -1.4920 -5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 0.4670 -5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -1.0520 -5.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 0.6540 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 0.7870 -2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 -1.5930 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 1.6190 4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -3.5600 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 -4.5660 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -3.2370 -3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -0.8990 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 0.1260 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 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 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 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 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 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 49 1 0 0 0 0 M END