RDKit 3D 46 47 0 0 0 0 0 0 0 0999 V2000 2.4279 2.2637 1.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 1.3495 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 1.1218 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 0.3022 -1.2229 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5064 1.8213 -0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9278 0.6869 0.5678 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2243 0.9441 -0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 0.5620 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1405 1.4330 -0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9171 2.8670 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5497 1.0512 -0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7656 -0.2250 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4993 -0.7578 0.9712 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6287 -1.9534 1.6317 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 -0.8442 -0.1173 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0661 -1.5260 -1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.5616 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 -0.7794 0.7896 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1392 -1.3977 0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 -1.9523 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 -2.6014 0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 -1.9015 2.3713 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 2.7565 1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6222 2.4743 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5895 2.6932 -0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 1.1262 1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 0.2081 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 1.9274 -1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 3.1848 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7296 3.4602 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6897 3.0024 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0743 1.8617 0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 0.9642 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4731 -0.0987 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2477 -1.0110 -0.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 -0.0199 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3026 -2.5573 1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 -0.8027 -1.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 -2.2653 -0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 -1.9925 -1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 -2.2885 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 -2.2241 1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0867 -0.8808 1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6552 -2.2024 -0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -2.5213 1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 -3.6971 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 6 15 8 1 0 8 7 1 0 7 6 1 0 6 2 1 0 2 3 1 0 3 5 1 0 3 4 2 0 2 1 2 3 6 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 18 17 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 17 15 1 0 13 15 1 0 16 38 1 0 16 39 1 0 16 40 1 0 7 27 1 0 7 28 1 0 6 26 1 1 5 25 1 0 1 23 1 0 1 24 1 0 18 43 1 1 21 44 1 0 21 45 1 0 21 46 1 0 17 41 1 0 17 42 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 1 14 37 1 0 M END