B3K4BP -OEChem-04022104433D 38 38 0 1 0 0 0 0 0999 V2000 0.3018 -2.9305 -0.2783 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7909 -3.7358 -1.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1181 -3.5231 1.0328 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 -1.3261 1.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8401 -2.3796 -0.1746 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3845 2.7623 -1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 2.2703 1.4104 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7185 2.0589 -0.6946 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 -2.1604 -0.7567 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6695 3.7223 0.4194 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0446 1.6942 0.2990 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7602 -1.1490 0.1266 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9046 0.1781 -0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 1.3677 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4086 -1.5627 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1135 -1.6907 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 2.6733 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 -0.9062 1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 -1.1399 -1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 0.1732 1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0415 -0.0605 -1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1551 0.5960 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9378 5.0683 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1715 -1.0227 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9823 0.3881 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 0.0975 -1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 -2.1924 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3545 1.5070 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0919 1.1757 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9482 -1.2221 1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 -1.6318 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4591 0.6595 2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6162 0.2424 -1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 3.5547 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3251 -1.6783 2.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0178 5.6503 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2713 5.0740 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7099 5.4989 0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 4 16 1 0 0 0 0 4 35 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 10 17 1 0 0 0 0 10 23 1 0 0 0 0 10 34 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 2 7 -1 11 1 M END $$$$