B3KFP4 -OEChem-04022115393D 42 44 0 0 0 0 0 0 0999 V2000 2.3204 -2.2285 0.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3372 0.4129 0.2629 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1634 2.1196 -0.8940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -0.8739 -0.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9465 -2.1434 -1.4294 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9272 -0.6052 0.4254 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 0.9632 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -0.0625 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2228 -1.2063 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0345 0.8452 0.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -1.3243 1.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0172 -0.2984 1.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1008 3.1909 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 2.2488 -2.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7405 0.0261 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0394 -1.8925 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 -1.2248 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1116 -0.2287 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2569 1.1713 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -2.4551 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 -0.9642 0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9992 0.6614 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1445 2.0617 0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5157 1.8066 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5563 -0.0042 -1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 1.6145 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 -2.2129 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7087 -0.3909 2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9893 4.0173 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1361 2.8428 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9383 3.6148 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 3.2023 -2.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2065 2.2225 -1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 1.4608 -2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 -1.4680 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4885 -1.1222 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 1.4326 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7864 -3.1950 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 -0.4701 1.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7695 2.9589 1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2022 2.5051 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4937 -0.4199 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 22 1 0 0 0 0 2 42 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 4 35 1 0 0 0 0 5 17 1 0 0 0 0 5 20 2 0 0 0 0 6 17 2 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$