IBS-ZINC01799317 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0260 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -2.6710 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5320 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1060 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 -2.6160 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -3.8310 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -1.8970 0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -2.5440 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 -3.8310 0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7280 -4.2770 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6610 -3.3220 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8440 -1.7610 0.0840 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.4040 -3.5780 0.0910 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.9870 -2.3960 -0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6240 -4.8690 -0.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9040 -3.6640 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2740 -2.5130 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6670 -2.5810 3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6900 -3.7990 4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3210 -4.9500 3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9320 -4.8830 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1090 -3.8710 5.8430 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.4340 -2.8570 6.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1300 -4.9440 6.4190 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -3.7500 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0460 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1850 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -0.9280 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9710 -5.3290 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2560 -1.5610 1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9550 -1.6820 4.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3380 -5.9020 4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6470 -5.7820 1.9040 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END