BTI3J4 -OEChem-04012114593D 59 60 0 1 0 0 0 0 0999 V2000 -4.4170 2.0472 1.7023 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0335 0.8647 -0.3566 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 0.0337 -2.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 -1.7729 -0.1088 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 1.7280 0.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0433 -0.4205 0.1618 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.5040 0.6982 1.0076 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0387 0.8656 0.9965 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6076 0.9470 -0.4212 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1035 -0.2127 -1.2781 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5804 -0.3516 -1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3055 -1.7200 0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5318 -0.0367 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7623 1.9872 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 1.0161 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9931 0.3589 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 -2.7624 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8843 2.4121 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2991 1.7561 -0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3397 2.7981 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -1.4140 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 -2.3734 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -3.3990 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 -3.0495 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1889 0.5071 2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5056 0.0263 1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3812 1.9130 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5973 -1.1458 -0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2635 -1.2097 -1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1193 0.4973 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1714 -1.6629 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -2.0653 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3593 -0.0840 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9827 2.7938 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0206 2.3335 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 1.0267 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5358 0.7677 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 -0.3652 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 0.3298 0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5462 -3.7251 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4206 -2.9203 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 3.1445 0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 2.4452 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 1.7509 -1.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.0291 -0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 3.7737 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5127 2.9055 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3725 -1.4024 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9191 -2.1574 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -2.2966 1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3632 -1.3894 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 1.9726 2.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 -3.4363 -1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8863 -4.3962 0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2693 0.0208 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1605 -0.7143 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -3.8070 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6847 -3.0436 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 2.5504 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 52 1 0 0 0 0 2 9 1 0 0 0 0 2 55 1 0 0 0 0 3 10 1 0 0 0 0 3 56 1 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 5 14 1 0 0 0 0 5 59 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 M END $$$$