B3PX2N -OEChem-04022117543D 27 29 0 1 0 0 0 0 0999 V2000 0.0179 0.7789 -0.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0733 -1.8902 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 0.0526 -1.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 0.1753 1.0873 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7568 -0.3814 -0.4633 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1756 -0.0512 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2854 -1.5905 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 0.4159 -0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 0.4620 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 0.5276 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 -0.7660 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 1.6318 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 -0.9554 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5626 1.4410 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0913 0.1496 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 -0.5337 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8908 -2.4708 0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3465 -1.4360 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7121 1.3925 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 -0.3321 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9628 -0.0747 -2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 -0.2881 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2556 1.4469 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 2.6408 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6601 -1.9574 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2282 2.2991 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1676 0.0046 0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$