BT3IN5 -OEChem-04012115283D 50 54 0 0 0 0 0 0 0999 V2000 -7.1904 -1.1058 -0.4475 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1505 4.3496 0.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 1.8413 -0.1773 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.8432 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -2.4181 0.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0187 -0.1931 -0.3015 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6298 0.9838 -1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 2.4056 0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 2.9223 -0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4033 -0.3634 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5961 3.3052 1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 3.8106 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2728 -1.3492 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6764 -2.0931 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6979 -1.2902 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8443 -2.7883 0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 -0.8554 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 -2.2223 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2924 -1.1493 -1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4929 -1.3744 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 -0.2414 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6815 -1.0920 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8821 -1.3172 0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4764 -1.1760 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4576 -0.5595 0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6282 0.6537 -1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 0.0172 0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 1.2304 -1.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9289 0.9122 -0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 1.4814 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 0.7923 -1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1466 2.9929 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 1.6127 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2772 3.5269 -1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6938 2.5076 -1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 2.7379 2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 3.7732 2.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3235 4.6505 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7847 3.2608 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 -3.7831 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9473 -2.7612 0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6932 -1.0940 -2.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 -1.4826 2.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -0.9842 -2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 -1.3834 1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 -1.2223 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8326 0.9116 -1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5256 -0.2238 1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0529 1.9264 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9075 1.3626 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 14 2 0 0 0 0 6 17 2 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 13 2 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 20 43 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$