BTW3D7 -OEChem-04042106233D 42 45 0 1 0 0 0 0 0999 V2000 8.4686 0.2831 -0.0344 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 0.8273 1.7677 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8988 -0.1633 2.5949 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 -2.4395 -0.1666 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -4.3287 -0.5833 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 2.5312 -1.4849 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 1.3002 0.2939 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2515 1.5652 0.6052 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 3.7179 0.0033 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 -1.0131 -0.1242 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 -0.8620 -0.1513 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7957 0.3273 -0.9243 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6147 1.4607 -1.8800 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8970 1.3455 -1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 0.2870 0.2983 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8587 -0.7591 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -0.1211 1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 2.5358 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -0.4013 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2264 -2.0859 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 -1.3703 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2459 -3.0549 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 -2.6970 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 0.2572 0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 0.3149 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 1.5209 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 1.5189 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 -0.8248 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5865 0.3278 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0358 -0.6392 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6581 1.2316 -2.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7849 1.0363 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0872 2.0659 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -1.0762 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 0.6244 0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0742 3.8897 0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 4.4562 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 -3.4627 -0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 -1.7765 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 2.4516 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4387 2.4526 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -1.7869 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 20 1 0 0 0 0 5 22 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 7 24 2 0 0 0 0 8 15 1 0 0 0 0 8 18 2 0 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 21 1 0 0 0 0 10 24 1 0 0 0 0 10 39 1 0 0 0 0 11 25 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 17 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 40 1 0 0 0 0 27 29 1 0 0 0 0 27 41 1 0 0 0 0 28 29 2 0 0 0 0 28 42 1 0 0 0 0 M END $$$$