B1GOA3 -OEChem-04022105193D 49 52 0 1 0 0 0 0 0999 V2000 4.3258 -0.4149 -1.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 0.9664 -2.6102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -0.6174 -0.5677 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 0.7288 0.2344 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.8614 2.4894 -1.5383 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9967 -2.0977 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -3.5984 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -2.9224 1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 -1.3423 -0.4727 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0723 -0.3901 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 0.6566 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2254 1.2951 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 1.3963 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4702 -1.1056 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 1.2551 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3265 2.5214 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4025 0.4129 0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 -2.6057 -1.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 2.4696 1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5564 3.1056 1.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3163 0.3661 -0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 -0.4628 1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3623 -0.5563 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5808 -1.3852 1.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 1.2677 -1.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4946 -1.4320 0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -1.5611 1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1717 -4.1342 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 -4.0612 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 -3.0335 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5777 -2.9422 2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 -2.0645 -1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.0161 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 -0.9806 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2303 1.8152 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 2.2424 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 0.7737 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 3.0708 1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 -2.9514 -2.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4128 -3.1065 -0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5562 -2.8698 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6891 2.9092 1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5948 4.0518 2.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8304 -0.4365 2.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 -0.6032 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 -2.0676 2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 -2.1507 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4119 2.7556 -0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8094 3.1583 -2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 25 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 25 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$