RDKit 3D 48 50 0 0 0 0 0 0 0 0999 V2000 4.2704 2.3615 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 0.9803 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 0.4444 -1.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2218 0.2565 0.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6879 -1.0171 0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4648 -1.2608 -0.1359 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5602 -1.0178 -1.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 -2.6954 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 -2.6862 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 -1.2294 -0.3328 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2300 -0.5154 0.3708 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4198 0.9121 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 1.7136 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 1.6311 -1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 3.1734 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7202 1.2369 1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6814 0.1759 0.7030 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5774 -1.0862 1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -1.0361 0.0983 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2535 -1.7927 -0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7028 2.9535 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3243 2.2701 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 2.9213 -1.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 -1.8212 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -1.2453 1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7515 -1.8009 -2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 -3.4222 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -2.9330 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 -3.0337 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7559 -3.3218 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7524 -1.0372 -1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2463 -0.6651 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 0.9455 -1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0802 1.3887 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6794 1.3668 -2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 0.8377 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8788 2.6132 -1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2067 3.5635 -0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 3.2099 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 3.7337 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2894 2.1221 1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 0.9552 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7519 0.4979 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5173 -1.5697 1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 -1.1430 2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1448 -1.1571 -0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8352 -2.0590 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4855 -2.7186 -0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 6 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 6 11 6 1 0 19 17 1 0 19 10 1 0 1 21 1 0 1 22 1 0 1 23 1 0 5 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 6 11 32 1 1 12 33 1 0 12 34 1 0 14 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 6 18 44 1 0 18 45 1 0 20 46 1 0 20 47 1 0 20 48 1 0 M END