BACHEM-ZINC02143633 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 0.0380 1.7690 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.0270 0.4970 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.3450 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -1.8340 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -2.1700 -2.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4640 -1.8180 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -3.6930 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -4.2360 -3.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -4.3760 -2.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -5.8310 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 -6.3040 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -5.3600 -0.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -1.5850 -3.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -0.3520 -4.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 0.4470 -3.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.1360 -5.5090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 1.1400 -6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 1.2300 -7.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 1.5400 -7.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 1.6000 -8.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 1.3450 -9.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.0280 -9.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 0.9680 -8.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 2.0240 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 2.2410 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 2.1540 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 0.2410 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -0.0010 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -2.4130 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -2.1630 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -3.9190 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -6.2930 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -6.1210 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -2.1460 -4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 1.9440 -5.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 1.2450 -6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 1.7290 -6.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 1.8420 -8.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 1.3890 -10.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.8250 -10.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.7090 -8.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -7.5450 -1.4800 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 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 42 -1 M END