B3GTS2 -OEChem-04022117373D 52 54 0 1 0 0 0 0 0999 V2000 -2.8287 -1.0751 2.4014 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3942 -0.9727 -2.4281 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 -1.2812 1.8107 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3613 -0.1824 -0.4268 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.4433 3.3138 0.7870 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2145 0.7023 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 1.1543 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3389 0.7455 -1.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 0.2348 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0994 1.6139 -1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 1.1035 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 2.0681 0.1741 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1538 -0.2883 0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1843 0.2907 -1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3309 -1.2507 0.6223 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3611 -0.6519 -1.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2077 -0.8377 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9861 1.4270 1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5703 0.1548 0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4562 -1.0425 1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2249 0.1784 -0.7205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7656 -0.9954 -1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 -2.2164 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6514 -2.1928 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5681 1.7239 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0497 0.1339 -0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8616 1.1802 -2.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -0.2680 -1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 -0.8131 0.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 0.3171 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 1.5721 -2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4223 2.6557 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 2.0988 1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 0.6995 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 2.3203 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 -0.7217 1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5153 0.6924 1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5578 1.3064 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6274 0.3057 -2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 -2.2654 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9832 -0.2539 -2.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.6272 -2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7358 0.0945 -0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9876 -1.5884 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 2.1327 1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5871 1.2504 2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8408 3.8181 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 3.9275 0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8476 -1.9025 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3319 1.1036 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9076 -3.1485 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0723 -3.1064 -0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 49 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 18 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 M END $$$$