RDKit 3D 42 42 0 0 0 0 0 0 0 0999 V2000 4.5557 1.2872 -0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8261 0.5926 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3527 0.5147 1.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5943 1.0709 1.7792 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 -0.1460 2.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3857 -0.7169 2.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7449 -1.3457 3.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8523 -0.6478 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 -1.2323 0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -1.8515 1.2989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -1.1471 -0.7934 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -1.6912 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 -1.1289 -0.3957 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4790 -1.8451 -0.9337 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5949 0.3105 -0.8027 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5728 0.3307 -2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0118 0.7523 -0.4628 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2123 2.0442 -1.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1922 0.8580 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 -0.3425 1.6567 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 0.0121 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0764 0.1330 -1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9387 2.1251 -1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7793 0.6173 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 1.7292 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1789 1.5532 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0359 -0.2081 3.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8968 -1.8172 3.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3713 -1.4752 -2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2359 -2.8050 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 -1.2744 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3545 -1.8905 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8364 1.0051 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9612 1.2327 -2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7724 0.0869 -0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2019 2.1660 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4489 1.5987 1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2315 1.2420 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8138 -0.2833 2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 0.6812 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 0.7439 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 -0.8387 -2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 8 21 2 0 21 22 1 0 21 2 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 12 29 1 0 12 30 1 0 13 31 1 1 14 32 1 0 15 33 1 1 16 34 1 0 17 35 1 6 18 36 1 0 19 37 1 0 19 38 1 0 20 39 1 0 22 40 1 0 22 41 1 0 22 42 1 0 M END