BCJ1M5 -OEChem-04022110443D 47 48 0 1 0 0 0 0 0999 V2000 1.7533 1.4651 -1.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 -1.8691 1.0413 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 2.8589 1.7195 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 -1.8921 -1.1862 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1767 4.0216 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 1.4186 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 -0.2654 0.9985 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 0.4067 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 -0.5008 0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 0.1765 0.0841 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7026 2.2954 -0.6253 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7742 1.4989 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5318 0.5409 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4569 1.0739 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3434 -0.8672 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7857 -0.3214 1.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.2116 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2539 -1.3485 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5345 0.8808 0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0433 -1.2907 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3541 3.1454 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 -1.7812 -1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 -2.7036 0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5649 -3.1397 -0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4836 -3.5916 0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 1.4603 -0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 0.2518 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6425 -1.5511 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 0.4332 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 2.9862 -1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 2.1884 -1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3099 0.9459 -2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 1.0296 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9371 0.7261 2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5580 -0.9186 2.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8214 -0.6461 2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5686 0.8233 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3597 -0.3737 -1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0002 -0.8728 0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 1.8301 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6971 -0.3110 1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 -1.4471 -1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0621 -3.0563 1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 -3.8488 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 -4.6510 0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4366 -2.8180 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 3.4272 2.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 20 1 0 0 0 0 2 46 1 0 0 0 0 3 21 1 0 0 0 0 3 47 1 0 0 0 0 4 20 2 0 0 0 0 5 21 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 33 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 15 18 1 0 0 0 0 15 22 2 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 23 2 0 0 0 0 19 40 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$