RDKit 3D 41 45 0 0 0 0 0 0 0 0999 V2000 -1.3259 1.6672 2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5364 1.4211 0.6844 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7663 2.0231 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7766 0.8994 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8692 -0.2361 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0563 -1.3806 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9965 -2.3859 -1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6311 -1.9127 -0.7250 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2642 -2.4343 -1.6515 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4992 -2.4327 -1.0114 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5001 -2.9786 -1.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 -1.0440 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1972 -0.7537 -0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5963 0.5173 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6788 1.5028 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 1.1942 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8786 -0.0633 -0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 -0.3793 -0.6859 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4957 0.0514 0.3486 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3726 2.6802 0.3292 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6408 2.2759 0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 1.0941 0.0683 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3218 1.7339 2.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7921 2.6180 2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 0.8298 2.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 2.5881 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1769 2.7259 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3609 0.7318 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4590 1.1679 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0473 -1.6153 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1823 -3.3269 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 -2.6302 -2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 -2.2373 0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4372 -3.0033 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8098 -3.8253 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 -1.5261 -0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6415 1.9746 -0.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9285 -0.0181 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 -0.5184 1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 3.0308 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4897 1.9746 1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 20 1 0 20 21 1 0 21 22 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 2 1 0 19 5 1 0 18 8 1 0 17 12 1 0 22 14 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 1 10 34 1 1 11 35 1 0 13 36 1 0 21 40 1 0 21 41 1 0 16 37 1 0 18 38 1 6 19 39 1 1 M END