BHR8T3 -OEChem-04012112353D 78 81 0 0 0 0 0 0 0999 V2000 3.8590 -0.5614 0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2131 -2.2607 0.9789 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3911 -3.0053 1.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5977 -2.8866 -0.8969 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0039 -1.2278 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -2.7272 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5969 -0.6504 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9502 -3.4501 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -1.4423 -1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 -3.2113 0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 -3.1838 0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4422 0.5986 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -3.5121 1.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 1.6707 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 0.2752 -0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7558 -3.5290 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9059 3.1636 -1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 1.3110 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5252 -0.7881 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 3.0177 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1123 1.0408 -1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5569 1.7932 -0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8548 3.8851 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6319 3.1184 -2.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6947 4.1344 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0078 2.2983 3.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7074 -1.0859 -1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7311 4.0051 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2945 0.7431 -2.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5588 -2.1346 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9052 -0.7701 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2245 1.4546 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5636 0.8503 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9522 3.6453 2.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 -0.3202 -2.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8986 0.1729 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2377 -0.4313 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -1.0991 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -3.1440 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8095 -2.9011 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2905 -0.6275 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 0.3974 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 -3.4000 -2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9439 -4.5191 -0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4017 -1.0087 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 -1.2974 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2365 -4.2321 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2941 -2.5576 1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8697 -3.9095 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8963 -2.1996 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 1.0154 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 -4.4856 1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 -2.7551 2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0578 -4.3035 0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2043 -3.7533 2.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 0.2693 2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2511 -1.3929 0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 3.3148 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 1.8695 -2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8070 3.3560 0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0891 4.9031 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3913 3.9530 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5785 2.5694 -2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0057 2.6256 -3.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8632 4.1269 -2.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 3.7520 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1506 4.2953 -0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0306 5.1187 -1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1825 2.0185 4.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3295 -1.9126 -0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6869 5.0539 1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5935 1.3385 -3.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4037 2.1483 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6091 1.0874 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 4.4139 3.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0126 -0.5519 -2.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8489 -0.0488 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0365 -1.1515 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 2 30 1 0 0 0 0 3 30 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 38 1 0 0 0 0 6 8 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 9 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 13 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 51 1 0 0 0 0 13 16 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 56 1 0 0 0 0 19 27 1 0 0 0 0 19 57 1 0 0 0 0 20 28 2 0 0 0 0 20 58 1 0 0 0 0 21 29 2 0 0 0 0 21 59 1 0 0 0 0 22 32 2 0 0 0 0 22 33 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 34 2 0 0 0 0 26 69 1 0 0 0 0 27 35 2 0 0 0 0 27 70 1 0 0 0 0 28 34 1 0 0 0 0 28 71 1 0 0 0 0 29 35 1 0 0 0 0 29 72 1 0 0 0 0 30 31 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 36 1 0 0 0 0 32 73 1 0 0 0 0 33 37 2 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 36 77 1 0 0 0 0 37 78 1 0 0 0 0 M END $$$$