RDKit 3D 50 53 0 0 0 0 0 0 0 0999 V2000 3.1078 3.6288 -1.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4523 2.6926 -1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0214 1.4623 -0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 0.4347 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9273 -0.8302 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -1.7113 -1.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8152 -2.8933 -0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1749 -3.2258 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -2.3583 1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -1.1587 1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0065 0.6205 -0.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 1.7582 -0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 1.8275 -0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6912 0.6508 0.2966 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0927 -0.4115 -0.5375 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8207 -1.5788 -0.4255 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4926 -1.9756 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3213 -1.0149 -2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 -1.6505 0.7035 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1022 -2.9584 0.9915 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -1.0904 1.9810 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2987 -2.0769 2.4987 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 0.1910 1.7013 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1483 1.1699 2.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6177 2.9941 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9733 3.0821 -0.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9609 4.0848 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4288 4.0263 -1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 5.1035 -1.7107 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 2.8439 -0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1049 1.3614 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.4405 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 -3.6021 -1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6722 -4.1747 0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1749 -2.6009 2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 -0.5254 2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7234 0.6125 0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 -2.3735 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7157 -2.2277 -2.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 -2.9307 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9967 -0.7327 -3.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7319 -1.1245 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 -3.0871 1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 -1.0091 2.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8086 -1.6097 3.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 0.1255 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1378 1.0210 2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4927 2.3389 0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 5.0082 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9133 5.3346 -1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 18 17 1 0 17 16 1 0 16 15 1 0 15 14 1 0 14 23 1 0 23 24 1 0 23 21 1 0 21 22 1 0 21 19 1 0 19 20 1 0 14 13 1 0 13 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 12 2 0 12 11 1 0 11 4 1 0 4 3 2 0 3 2 1 0 2 1 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 19 16 1 0 12 13 1 0 10 5 1 0 2 30 1 0 18 41 1 0 17 39 1 0 17 40 1 0 16 38 1 1 14 37 1 1 23 46 1 1 24 47 1 0 21 44 1 1 22 45 1 0 19 42 1 6 20 43 1 0 26 48 1 0 27 49 1 0 29 50 1 0 3 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 M END