B3NI6V -OEChem-04042104243D 53 55 0 0 0 0 0 0 0999 V2000 -7.4933 -0.8576 -0.6371 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5385 1.8019 -1.4666 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5768 -1.0492 -1.0488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 1.5114 0.4833 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1987 0.3750 -0.9519 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4987 -1.9611 -1.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6574 2.5922 -0.6213 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.9566 1.9571 1.4587 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4554 -0.2661 0.0328 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 -0.6916 0.0512 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9244 -0.7313 0.9458 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3998 1.8332 0.3424 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6387 0.0155 -1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 -0.8420 1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3865 -0.8586 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 -0.4003 1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8271 -0.0247 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 -0.8040 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 -0.6114 1.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 1.0215 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6798 -0.8309 0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7225 1.2613 -0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0540 -0.5911 0.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5753 0.4550 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7138 0.3562 0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 0.0692 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8223 -0.4718 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 0.7958 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1028 1.0662 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5209 -1.1986 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8611 -1.4691 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1445 -1.4522 0.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1989 -0.1855 -2.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 1.0708 -1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2891 -0.5215 2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 -1.9361 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 -0.6314 -2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6603 -1.9193 -1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2734 0.6843 1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -0.8806 2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6658 0.3733 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7021 -1.4076 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3081 -1.6633 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 -1.6519 1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1282 2.0756 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7187 -1.2210 1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6452 0.6412 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 2.0550 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8009 -1.9934 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1295 -2.4652 -0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1918 -1.7202 0.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5788 -2.3337 1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0720 -0.6642 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 1 32 1 0 0 0 0 2 20 1 0 0 0 0 3 18 2 0 0 0 0 4 25 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 11 44 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M CHG 2 7 -1 12 1 M END $$$$