BA9X4D -OEChem-04042106243D 42 45 0 1 0 0 0 0 0999 V2000 3.2244 0.1799 2.6113 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -0.7074 1.7513 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7315 2.5602 -0.0860 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9315 -2.0025 1.0932 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2259 -3.0261 0.2302 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1736 -2.4006 -1.5441 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7324 2.8880 -0.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1282 0.4382 -0.2743 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6469 -1.5179 0.5742 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 -3.6818 -0.0876 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5364 0.8939 -0.0705 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0516 -0.4273 -0.0431 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 -0.1690 -0.9228 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9942 -1.2815 -1.9104 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2732 -1.1316 -1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2491 -0.2033 0.3027 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1489 0.8009 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 0.2051 1.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 -2.4659 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.3827 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 2.1487 -0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 1.3122 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 3.0784 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 2.6601 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6871 1.6761 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 0.9310 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2317 1.4606 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3442 -0.6587 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0504 -1.9425 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 0.8190 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0232 -1.0204 -2.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1443 -0.7678 -1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4983 -1.8650 -0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 1.1845 1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5297 -0.6541 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 -3.8999 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0398 -4.4003 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 4.1275 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6327 3.4394 -0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 -0.1043 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6412 2.4483 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6266 -2.1425 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 21 1 0 0 0 0 4 29 1 0 0 0 0 5 29 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 25 2 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 16 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 22 1 0 0 0 0 11 25 1 0 0 0 0 11 40 1 0 0 0 0 12 26 1 0 0 0 0 12 28 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 41 1 0 0 0 0 28 29 1 0 0 0 0 29 42 1 0 0 0 0 M END $$$$