B3GKB4 -OEChem-04022113083D 40 42 0 1 0 0 0 0 0999 V2000 0.9783 0.6876 -1.6909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 1.5850 -0.0967 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3799 0.0064 -0.2009 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3055 1.8101 0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 2.7642 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6078 3.2805 0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2667 3.9068 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 0.3469 0.2608 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3308 -0.8442 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8811 0.2632 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -0.3469 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 -1.2675 1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3152 -1.5179 -1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 -1.3380 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0219 -2.3643 0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -2.6145 -1.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 -0.7438 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 -1.5892 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 -3.0378 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 1.0133 -1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1326 1.6570 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 1.2023 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 2.9129 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2052 2.7414 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0465 3.7553 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3133 3.3996 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3206 4.3252 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 4.7168 0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1368 0.3762 1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1988 -0.7661 2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6781 -1.2109 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 -1.8347 1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6838 -2.6962 1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 -3.1372 -2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3138 -0.6200 0.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 -2.3080 2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 0.6423 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 1.9375 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8609 1.1989 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6585 -3.8919 -0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 40 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M END $$$$