B3BPG6 -OEChem-04012115213D 41 44 0 1 0 0 0 0 0999 V2000 -2.2566 1.6574 0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9879 -0.8370 0.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6729 2.4494 -0.0255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 -2.9540 0.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8485 1.6530 0.6881 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5821 0.6678 -0.4527 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4845 -0.3661 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4154 0.5326 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 0.1467 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9624 0.1036 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0077 1.1261 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 0.7211 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3404 -1.2072 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6401 -0.6361 0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6722 -1.6324 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 -0.3977 -1.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5216 0.0786 1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 1.3743 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 0.3861 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9698 -0.9201 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7998 -0.4438 1.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5239 -0.9432 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 3.1298 -1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1032 -3.6889 -0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5338 1.1722 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 -0.8343 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 -1.1314 0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 -1.9614 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -0.3869 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9747 0.4516 1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8090 2.4325 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6464 0.3897 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5334 -1.3095 -1.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2306 -0.4642 2.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5189 -1.3507 0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3344 3.8706 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2134 2.4525 -2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 3.6620 -1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1504 -3.6861 -1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3636 -4.7220 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8933 -3.2685 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 23 1 0 0 0 0 4 15 1 0 0 0 0 4 24 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$