BACHEM-ZINC02554983 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0580 -2.4700 -4.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -1.7680 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -0.5590 -2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -2.7690 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -1.3920 -2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -0.5090 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 0.0510 -3.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -0.3360 -1.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 0.5660 -2.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5440 1.5570 -2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 0.0680 -3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 1.0090 -4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8180 1.5000 -4.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 1.1910 -5.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 1.9630 -6.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 1.0340 -7.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 0.0570 -7.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -0.8130 -8.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -0.7150 -9.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 0.2600 -9.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 1.1340 -8.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 2.0700 -7.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 3.0010 -6.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 3.0030 -6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 4.0070 -5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 4.9850 -4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 4.9750 -5.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 3.9830 -6.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 0.6820 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -0.1930 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -1.7840 -4.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -3.2740 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -2.8970 -4.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -0.8640 -3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.0190 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 0.1600 -3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -3.6330 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -2.3130 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 -3.1320 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -0.8480 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 -0.0630 -3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -0.9110 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 0.7600 -4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 2.5000 -6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -0.0310 -7.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -1.5680 -9.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -1.3940 -10.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.3420 -9.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 4.0280 -4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 5.7550 -4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 5.7380 -5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 3.9750 -7.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 1.6350 -0.9000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 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 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 53 -1 M END