BT6NI3 -OEChem-04022106573D 36 38 0 0 0 0 0 0 0999 V2000 -3.3284 -2.4169 0.0867 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 1.0075 -0.0165 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 -0.2287 0.0178 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0155 -2.4930 -1.3917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4308 -3.5524 0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3734 -2.1824 1.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 1.7400 1.2329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 1.6731 -1.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 0.3293 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 -0.9628 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 1.4489 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 -0.0470 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9593 -1.1480 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 1.2437 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2814 0.5346 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5767 2.7410 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8101 1.8255 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9595 2.9265 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 0.2127 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4919 -0.1194 -1.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 -0.0635 1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7378 -0.7466 -1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -0.6903 1.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3676 -1.0318 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 -2.1367 0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 2.1298 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0099 -0.2659 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 3.6170 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8865 1.9716 -0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3718 3.9310 -0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0153 0.0861 -2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 0.1849 2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2171 -1.0146 -2.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2404 -0.9149 2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -2.5751 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3372 -1.5210 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 4 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$