BRE48N -OEChem-04012112373D 40 43 0 0 0 0 0 0 0999 V2000 7.3865 -2.6969 -0.3787 I 0 0 0 0 0 0 0 0 0 0 0 0 -7.3852 -2.6986 0.3803 I 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 4.2687 0.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 4.2666 -0.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -1.0681 0.3736 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -1.0689 -0.3746 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 4.6729 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6691 2.5222 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 2.5217 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 0.1534 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6799 0.1529 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 1.3523 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3743 1.3512 -0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 3.9134 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1069 3.9126 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -1.4329 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -1.4337 -0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 -2.4374 0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 -2.4383 -0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5034 -0.7928 -0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5022 -0.7939 0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6145 -2.7990 0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6136 -2.8002 -0.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8401 -1.1546 -0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8388 -1.1560 0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3956 -2.1577 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3945 -2.1590 0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 1.3848 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 1.3831 -0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7801 -1.8174 0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -1.8180 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0023 5.6868 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6799 -2.9444 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -2.9452 -1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0923 -0.0244 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0909 -0.0256 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0275 -3.5831 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0268 -3.5844 -1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4298 -0.6457 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4282 -0.6473 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 31 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 21 25 2 0 0 0 0 21 36 1 0 0 0 0 22 26 2 0 0 0 0 22 37 1 0 0 0 0 23 27 2 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$