B4V2UD -OEChem-04012112093D 38 40 0 0 0 0 0 0 0999 V2000 0.5570 1.8220 0.0029 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6856 0.8915 -0.0109 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -0.7510 0.0105 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 0.3975 0.0152 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9954 0.1737 1.2062 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 -0.4413 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 -1.3667 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 0.9248 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1182 -0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.3961 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 0.4593 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 0.3564 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 -2.8415 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2522 -1.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 2.8571 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -0.7778 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9984 -0.3834 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -0.2205 -1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 -0.1806 1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9958 0.1438 -1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6153 0.3271 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -3.3077 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 -3.0628 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9559 -3.3133 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2094 -2.5182 -0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2367 -1.4043 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2162 -2.5099 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 3.1246 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 3.1189 -0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 3.4938 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 1.3043 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 -1.3826 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3194 -1.4135 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7453 1.8584 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1403 -0.3700 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 -0.2947 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5397 0.2803 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6607 0.6117 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 34 1 0 0 0 0 3 6 1 0 0 0 0 3 12 2 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 4 31 1 0 0 0 0 5 19 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$