B51NBE -OEChem-04022101383D 35 36 0 0 0 0 0 0 0999 V2000 2.4424 0.5095 -1.1625 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 1.6751 -2.5258 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7751 1.0964 1.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -0.9527 -0.2936 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4755 -0.8859 1.7624 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8068 0.3097 -0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 -0.9091 0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 0.0980 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4827 -0.9310 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 0.1090 1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -1.9380 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6448 -1.9490 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 -0.8971 1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 -0.3307 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4476 2.4263 0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -0.9172 -1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0563 -0.3570 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7205 3.2403 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4687 -0.2411 -1.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 0.8447 -1.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2104 0.9070 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 -2.7399 -0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0348 -2.7616 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8744 -1.4036 1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7787 2.8660 1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9426 2.4332 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3661 -0.3636 -2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1726 -1.9432 -2.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5044 4.2719 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4044 2.8015 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 3.2472 1.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -0.2074 -2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2458 -0.7733 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4398 0.7813 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8122 0.4012 -0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 20 2 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 35 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 M END $$$$