BQP9V4 -OEChem-04022116063D 53 56 0 1 0 0 0 0 0999 V2000 3.6838 -1.8797 -1.5503 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 2.1044 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0014 0.3410 0.1381 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 2.2063 0.5795 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -0.0133 -0.5271 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 0.2502 -0.1334 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1048 -0.5732 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8289 -1.6031 0.5809 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1911 -0.4295 1.2648 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3716 -0.3368 -0.8203 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6268 0.5923 0.1161 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7780 -0.8996 -0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 1.9153 -0.1361 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6649 -1.6474 -0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3103 -1.6991 0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 0.6366 1.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.3985 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -1.1605 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 2.6545 -1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 1.0324 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1831 1.0697 0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3753 0.1712 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 0.1128 -0.8796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8004 -0.5952 1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1523 -0.7226 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9085 -1.4308 1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5844 -1.4944 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 0.0777 -0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3661 -2.5709 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3262 -0.6321 1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -0.0937 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 0.3176 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 2.5751 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9312 -2.0379 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 -2.4242 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7959 -0.7934 0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6120 -2.5216 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7007 -1.9143 1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4382 1.4738 2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7768 1.0396 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 0.2640 2.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 -1.1836 -1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 -1.7407 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 3.5857 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 2.0797 -2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 2.9149 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1049 1.4259 1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2843 1.9462 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7145 0.7079 -1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -0.5551 2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6782 -0.7728 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2448 -2.0324 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4470 -2.1452 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 2 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 20 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 9 16 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$