B1RDJ7 -OEChem-04022114383D 42 44 0 1 0 0 0 0 0999 V2000 4.6408 0.0122 -0.2925 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -1.6657 -1.0523 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9036 -2.1534 1.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 -4.1458 -0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2429 -2.0560 -0.8776 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5351 -0.8712 1.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9824 0.8834 -0.0586 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -0.7691 -1.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 0.2575 -0.1632 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 2.3243 0.0397 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 0.4812 -0.1736 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6426 0.7329 -0.0793 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0603 3.1239 0.1749 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2916 4.7295 0.3157 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3053 -1.2442 -0.3187 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3672 -1.9796 1.0160 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0218 -3.2891 0.6236 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0328 -2.8410 -0.4242 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3832 -2.4664 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 1.0506 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 1.0807 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8234 2.3575 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3395 1.2200 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 3.4020 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4266 1.8258 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5668 -1.5192 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -1.4372 1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -3.8326 1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1709 -3.5841 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3026 -1.6449 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 -3.3286 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7849 -2.7207 2.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 -4.9539 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 -0.5280 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0973 -1.8255 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 1.9509 -0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4275 1.7451 0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4952 1.6395 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 4.9397 0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 5.4710 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1439 -1.6311 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8549 0.4430 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 23 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 16 1 0 0 0 0 3 32 1 0 0 0 0 4 17 1 0 0 0 0 4 33 1 0 0 0 0 5 19 1 0 0 0 0 5 35 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 20 2 0 0 0 0 10 22 1 0 0 0 0 11 20 1 0 0 0 0 11 23 1 0 0 0 0 11 34 1 0 0 0 0 12 21 2 0 0 0 0 12 25 1 0 0 0 0 13 24 1 0 0 0 0 13 25 2 0 0 0 0 14 24 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 25 38 1 0 0 0 0 M END $$$$