MMs00385176 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 -0.1760 -1.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9256 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 -2.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -3.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 -4.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1638 -5.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 -3.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 -3.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4846 -2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9051 -1.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0327 -2.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7398 -4.2013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3193 -4.6832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4532 -2.2482 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5808 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0013 -2.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2942 -1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1288 -3.7448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5493 -3.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6769 -4.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0974 -3.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2250 -4.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -6.1821 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1408 1.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 0.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 -1.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 -3.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 -6.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6448 -3.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1578 -4.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8945 -4.9217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9723 -2.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4853 -2.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7409 -5.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2539 -5.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0163 -3.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1270 -5.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4336 -5.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 10 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END