BVL3S5 -OEChem-04022115533D 44 45 0 0 0 0 0 0 0999 V2000 3.6592 0.2661 1.1371 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 -1.9778 2.2271 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 2.1810 -2.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 0.3150 -1.6913 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0742 0.5473 -0.2742 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1053 -0.3644 1.9347 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 0.7548 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 1.6981 -0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5682 1.9871 1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 2.9279 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9484 3.2147 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6593 -0.7308 -0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 -1.6286 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 -1.1019 -2.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 -1.2571 1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7262 -2.8977 -0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -2.3711 -2.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8423 -3.2690 -1.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4003 -0.8007 2.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 0.3307 2.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 1.0517 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 1.1248 -1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8331 -0.1171 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1015 0.8759 -0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 1.4805 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 1.9118 -1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6201 2.1821 1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0561 1.7892 2.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9079 2.7660 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0781 3.7971 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 4.0644 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5273 3.4934 -0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 -0.4185 -2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 -2.1521 2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9088 -0.7737 2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -3.6090 0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -2.6607 -3.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5242 -4.2572 -1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 0.6326 1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 1.3108 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8354 0.1805 3.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8504 0.4752 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 2.0645 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8877 2.2132 -3.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 19 2 0 0 0 0 3 22 1 0 0 0 0 3 44 1 0 0 0 0 4 22 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 39 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M END $$$$