RDKit 3D 51 53 0 0 0 0 0 0 0 0999 V2000 2.0683 3.2740 1.7555 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 2.1975 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3326 1.4046 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 0.2831 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5894 -0.5344 0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7826 -0.2294 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8946 -1.0667 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8269 -2.2287 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 -3.0601 -0.2186 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -2.5483 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -3.7215 -1.4085 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -1.7141 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9279 1.8108 0.4816 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2472 2.6233 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3456 1.9393 -0.1840 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5490 0.6952 0.3593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9191 0.3279 0.3081 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9968 -0.9847 0.6313 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4613 -2.0392 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4262 -3.3312 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8584 -4.3600 -0.1497 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 -4.2886 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4097 -3.0792 -1.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9629 -1.9087 -1.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -0.8460 -1.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6726 1.2119 1.3131 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0032 0.8272 1.2391 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5151 2.6339 0.8954 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7583 3.1652 0.4846 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 2.7873 -0.2475 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1748 4.1237 -0.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 1.7736 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 -0.0368 -0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 0.6727 1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 -0.8013 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8044 -2.7843 0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6723 -3.9629 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5974 -1.9574 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 3.5791 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 2.8090 1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 1.8435 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 0.6473 -0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0228 -3.3651 1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6952 -5.1849 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8088 -3.0010 -2.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3172 1.0134 2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 0.9500 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2054 3.2832 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6584 4.1400 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0831 2.5900 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8235 4.4276 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 31 30 1 0 30 15 1 0 15 14 1 0 14 13 1 0 13 2 1 0 2 1 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 17 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 12 5 1 0 24 19 1 0 31 51 1 0 30 50 1 6 15 41 1 6 14 39 1 0 14 40 1 0 3 32 1 0 4 33 1 0 6 34 1 0 7 35 1 0 9 36 1 0 11 37 1 0 12 38 1 0 17 42 1 6 20 43 1 0 22 44 1 0 23 45 1 0 26 46 1 1 27 47 1 0 28 48 1 1 29 49 1 0 M END