MMs00959130 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.3018 -0.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 -0.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 -2.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2074 -2.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5036 -2.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -0.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0960 -0.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1016 -2.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6941 -0.7061 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3629 -0.5562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6168 -1.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3624 0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6075 1.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1415 1.5411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8548 0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4700 -0.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9624 -1.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8395 0.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2242 1.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7319 1.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3318 -0.0425 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5961 -1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -1.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0766 -1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -2.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2119 -4.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5451 -2.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1916 1.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7897 1.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6174 0.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1601 0.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0915 2.9566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7683 -1.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4546 -2.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9259 2.4502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2397 2.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END