BHE9B8 -OEChem-04022106073D 69 72 0 0 0 0 0 0 0999 V2000 6.7498 2.3302 0.1122 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 -2.7988 0.9121 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 1.7414 1.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9516 -1.8421 2.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -3.9430 0.9021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3798 4.7153 -0.5265 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 5.3876 -2.1183 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9484 -2.0492 -0.5956 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3254 -3.3587 0.6793 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2145 -1.9570 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 -0.9099 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -3.0291 -1.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9214 -1.0756 -0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7966 -0.3426 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -2.8791 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 -0.4558 2.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2657 -2.3849 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3331 -2.3759 -2.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9401 -3.9556 -1.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8927 -0.7906 -1.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6836 0.7276 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1181 0.6110 2.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7613 0.2754 -1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 1.0241 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1784 -1.9097 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5624 -1.3388 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6956 2.4747 1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7784 -0.0678 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6357 -2.0780 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0867 3.1506 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6274 2.5468 1.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0675 0.4638 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9248 -1.5465 -1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1549 3.8987 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5591 3.2949 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1407 -0.2756 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 3.9708 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 4.7515 -1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -3.6655 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -2.9935 1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -3.9025 0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -1.3013 3.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0588 -0.0384 3.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 -2.2767 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4982 -1.4092 0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1439 -1.8272 -3.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 -1.6795 -2.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0027 -3.1423 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2393 -4.3868 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -4.7858 -2.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8148 -3.4646 -2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0021 -1.3487 -2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 1.3139 1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 0.9205 3.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 0.1675 2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -4.2593 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5231 0.5116 -2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0523 -2.6020 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4392 -1.1087 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 0.5194 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4811 -3.0690 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 3.0970 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9661 2.0593 2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2354 1.4535 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7604 -2.1220 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 4.4179 -1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 3.3286 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1444 0.1384 -0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0273 5.2438 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 22 1 0 0 0 0 3 27 1 0 0 0 0 6 38 1 0 0 0 0 6 69 1 0 0 0 0 7 38 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 17 1 0 0 0 0 9 56 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 22 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 23 2 0 0 0 0 20 52 1 0 0 0 0 21 24 2 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 28 60 1 0 0 0 0 29 33 2 0 0 0 0 29 61 1 0 0 0 0 30 34 1 0 0 0 0 30 62 1 0 0 0 0 31 35 2 0 0 0 0 31 63 1 0 0 0 0 32 36 2 0 0 0 0 32 64 1 0 0 0 0 33 36 1 0 0 0 0 33 65 1 0 0 0 0 34 37 2 0 0 0 0 34 66 1 0 0 0 0 35 37 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 M END $$$$