LDTB40 -OEChem-05022323023D 55 56 0 1 0 0 0 0 0999 V2000 0.7697 1.2378 -0.8775 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2338 1.0272 -2.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9594 2.5333 -0.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 1.1206 -1.2909 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5822 -0.8504 -1.4196 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4109 0.0005 0.1432 N 0 0 2 0 0 0 0 0 0 0 0 0 4.6313 -0.8112 -0.3911 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 0.2053 0.7199 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8245 1.4740 1.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 -1.4119 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 -2.1570 0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 -3.6435 0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 0.2416 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7661 1.4440 2.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2076 1.7275 2.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 0.8931 -0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6927 -3.7642 -0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6129 -4.3449 1.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7077 1.1160 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 0.4000 -1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 0.8479 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 0.3466 -0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 0.1281 -1.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8467 1.0662 1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1001 0.0782 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2149 0.7941 1.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8406 0.3011 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9862 -0.6469 1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6763 2.3717 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 -1.9318 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6339 -1.4343 -1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9539 -2.0936 1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5523 -1.6417 0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -4.1556 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 0.5877 3.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8186 2.3529 3.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 1.3806 2.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9675 1.8600 1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 2.6338 2.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5147 0.8894 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6075 -3.1634 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1159 -3.4479 -1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9846 -4.8056 -0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5911 -3.8867 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 -4.2830 2.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 -5.4046 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 1.5059 1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 0.2141 -2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -1.6158 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4292 -0.2578 -2.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3787 1.4507 2.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6099 -0.3077 -1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7919 0.9672 2.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9058 0.0894 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3294 -0.4108 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 55 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 13 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 28 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 23 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$