B1CS3T -OEChem-04022101483D 55 58 0 0 0 0 0 0 0999 V2000 6.4999 2.2783 -1.3514 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 1.9763 0.6345 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 0.5409 -0.1251 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0536 -0.1221 -0.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2037 2.6286 0.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0989 0.1342 0.6146 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9925 1.8580 0.0118 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2898 -5.4377 -0.0275 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3778 0.4147 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4067 1.5506 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7119 -0.5289 0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8339 1.0031 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1662 -0.9945 0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9605 0.9652 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7188 0.1796 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7556 -0.8231 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4113 -0.4868 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 1.4927 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 0.8560 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 -1.5354 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 1.3160 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 -1.9715 -1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 -2.1111 1.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 1.6061 -0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8547 1.4676 1.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 -2.9833 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 -3.1229 1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 2.0474 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1725 1.9089 1.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9176 2.1988 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -3.5589 -0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4912 -4.5957 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2319 1.8488 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4381 -0.1704 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2843 2.2166 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2385 2.1584 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5373 -0.0210 1.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 -1.4079 0.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5382 1.8419 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0182 0.4581 -1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3196 -1.6313 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3852 -1.6090 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8830 1.5345 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7642 1.6220 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0533 -0.2196 0.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 -1.8626 -0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9523 2.3496 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 -1.5339 -2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -1.7831 2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5953 1.4948 -1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 1.2459 2.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -3.3126 -2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 -3.5618 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 2.2760 -1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6134 2.0243 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 30 1 0 0 0 0 5 33 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 45 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 32 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 23 27 2 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 24 50 1 0 0 0 0 25 29 2 0 0 0 0 25 51 1 0 0 0 0 26 31 2 0 0 0 0 26 52 1 0 0 0 0 27 31 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 31 32 1 0 0 0 0 M END $$$$