L4WQV5 -OEChem-05022322383D 42 45 0 0 0 0 0 0 0999 V2000 3.2963 0.2480 -0.8708 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8868 -0.8867 0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8334 1.4272 0.2674 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 2.6121 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4336 -0.4628 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7433 -0.0198 1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2659 -1.3330 0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 -0.8848 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1177 -1.6662 1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5279 -1.4965 -1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2049 -2.6588 0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9332 -2.8836 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1556 0.2808 0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7858 0.2196 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9546 0.2290 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1069 1.4489 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2653 1.4282 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0999 -0.9904 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2716 -0.9817 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0809 2.5382 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 3.8323 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9351 0.0366 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.0424 2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4516 0.7898 1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3259 -1.4056 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8274 -2.2379 1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5895 -1.3588 0.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0839 -1.6154 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 -1.0392 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2022 -2.1915 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8541 -1.5656 -1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4095 -0.9117 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1949 -2.2057 1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1691 -3.5812 1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0983 -3.5840 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7978 -3.2828 -1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 2.3660 -0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6072 -1.9511 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 -1.9336 -0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 4.5681 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6558 3.6978 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1357 4.2270 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 13 2 0 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$