MMs01998893 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 -2.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 1.3180 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7389 1.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 2.6106 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7171 -3.9033 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5882 -4.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0224 -3.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 -5.2086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8345 -6.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 -7.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -6.8478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9465 -5.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9596 -4.2718 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4241 -4.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4372 -3.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9857 -2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9988 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4633 -1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9148 -2.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9017 -3.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3532 -5.2445 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.4764 -0.1712 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6087 1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 -3.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4608 -1.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 -5.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -7.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 -8.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6378 -8.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9652 -5.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4364 -5.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8141 -1.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6376 0.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0864 -2.9672 0.0000 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 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 27 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END