MMs01605252 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 40 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 1.1944 0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1624 2.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5787 2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1594 4.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6475 4.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5549 3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4861 1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6306 0.4745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0257 -0.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 3.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 4.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 2.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6588 3.4789 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 2.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2962 1.3661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4814 4.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7843 1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4235 2.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3305 3.5618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9183 2.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7739 1.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1346 0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6398 -0.0546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2687 1.5522 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9555 -0.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7259 -0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 5.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 5.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 3.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7001 0.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7346 1.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 1.7715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4297 3.7449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8191 -0.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 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 9 10 1 0 0 0 0 10 11 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 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 22 36 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 37 1 0 0 0 0 M END