B2WMA1 -OEChem-04022106373D 45 48 0 0 0 0 0 0 0999 V2000 2.9410 3.9106 0.3042 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 2.3480 -0.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -1.5716 0.6481 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -2.2894 -1.4722 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 2.2137 1.5267 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8429 2.9921 1.7293 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 0.9887 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 0.1722 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 1.0548 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0928 1.7149 0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 -0.5540 -2.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6196 0.3262 -1.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 0.1059 -0.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4426 -0.4765 -2.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2413 1.8690 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4586 1.6371 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 0.8340 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 3.0431 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 -2.7822 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5696 -3.9190 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -2.1843 1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5952 -4.4666 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6348 -2.7320 1.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6923 2.9135 -1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 -3.8733 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3466 -2.2071 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3359 -0.9904 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 1.5295 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1065 0.3931 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5303 2.3852 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4327 -1.1890 -2.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 0.3508 -1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 -0.5150 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0212 -1.0469 -3.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8819 2.2087 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3452 0.7751 0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 -4.3947 -1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9415 -1.2877 1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 -5.3551 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1062 -2.2675 2.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0538 2.9475 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6447 3.3805 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -4.2988 1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0525 -1.0103 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7808 -1.5862 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 26 2 0 0 0 0 5 6 1 0 0 0 0 5 15 2 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 28 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 3 0 0 0 0 M END $$$$