BP3GU1 -OEChem-04022106032D 44 46 0 0 0 0 0 0 0999 V2000 7.7619 -0.7776 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -4.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -2.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -3.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 2.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 3.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 3.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 3.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 4.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -2.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -1.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -1.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -2.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -3.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -3.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 2.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 1.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -0.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -1.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 3.1283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5102 4.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 5.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3316 4.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1565 -4.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 16 2 0 0 0 0 3 17 1 0 0 0 0 3 44 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 12 2 0 0 0 0 5 21 1 0 0 0 0 6 15 1 0 0 0 0 6 21 2 0 0 0 0 7 15 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$