B2TF5I -OEChem-04042105273D 31 33 0 0 0 0 0 0 0999 V2000 4.4065 -2.8020 0.0599 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 2.3021 -0.5255 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6924 -1.6273 0.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.1089 0.5111 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5323 1.8073 0.8325 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 -0.2217 -0.1142 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3953 0.6854 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 -0.6680 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 0.1782 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0035 1.0940 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4299 1.6063 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0202 -1.1253 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -1.2667 0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 0.6885 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 1.1626 -0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0459 -0.2003 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -0.0677 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2399 1.1067 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4418 -1.0944 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6253 1.2588 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8273 -0.9421 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4189 0.2346 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7928 2.1565 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 2.6695 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0772 -0.5379 -0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9268 -1.1044 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 1.9421 0.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9911 -2.0148 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0875 2.1745 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4455 -1.7396 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4976 0.3531 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 15 16 2 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 19 28 1 0 0 0 0 20 22 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 M END $$$$