B4SE2J -OEChem-04012112053D 31 31 0 1 0 0 0 0 0999 V2000 1.0396 -2.7015 0.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 2.4468 0.3957 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6779 0.7803 0.2889 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6018 -1.0219 0.0711 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 0.4167 0.1607 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2691 -0.4754 -0.3234 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1311 -0.8728 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 0.1611 -0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9259 0.2844 -0.4832 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3068 -1.5170 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5726 -0.2253 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9628 1.2816 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3772 0.6512 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6122 0.7918 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 -0.3508 -1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1643 -0.9878 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -1.8495 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1611 0.2456 -1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 1.1535 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7349 0.2515 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 1.4103 0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5818 -0.2916 1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8288 -1.2201 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 -1.6749 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 -0.0951 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 1.6251 -0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5836 0.7058 0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6261 0.8403 -1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3621 1.7903 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6108 1.1306 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9437 0.3976 1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 14 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M END $$$$