BFB3R5 -OEChem-04022114343D 39 42 0 0 0 0 0 0 0999 V2000 -4.0280 3.3847 -0.2201 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 2.0607 -0.0975 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5413 0.6229 0.0155 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 0.5145 0.1157 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0734 -0.6585 -0.4138 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1263 1.4045 0.7026 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2557 0.8336 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3291 -0.0397 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1836 1.8727 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2241 -1.4667 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4177 3.3658 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1418 0.7001 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 4.2102 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5756 -2.0267 1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7697 -2.2926 -0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 -0.3601 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 -3.4129 1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 -3.6787 -0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 -0.4924 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0183 -4.2388 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -1.5998 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3748 0.3690 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3245 -1.6294 -0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 2.5576 1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3718 3.6319 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7019 1.5306 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 5.2848 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1505 -1.4020 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -1.8724 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -1.1883 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 -3.8492 2.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0912 -4.3219 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9383 -5.3180 0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -2.4033 -1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8818 -2.4599 -1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1343 1.3027 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9461 3.1260 0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2996 3.2198 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8672 2.2801 2.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 8 1 0 0 0 0 3 9 2 0 0 0 0 4 19 2 0 0 0 0 4 22 1 0 0 0 0 5 22 2 0 0 0 0 5 23 1 0 0 0 0 6 22 1 0 0 0 0 6 24 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$