RDKit 3D 51 53 0 0 0 0 0 0 0 0999 V2000 4.0001 2.7648 -0.4433 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 1.6224 0.2678 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2386 1.4551 0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 1.4116 -0.4461 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3575 0.2974 -1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0092 -1.0395 -0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1865 -0.9001 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 0.3166 -0.2767 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3263 0.4731 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2219 -0.6324 -0.2584 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9044 -1.8976 0.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 -0.3960 0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 0.1808 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8272 0.3973 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2601 0.0314 0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4016 -0.5481 1.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 -0.7579 1.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1223 1.4825 0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4396 0.4228 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6278 -0.4915 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3686 -1.6447 0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9634 -1.9478 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7819 -1.0556 -1.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0445 0.0887 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 2.8331 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 1.9389 1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 2.2678 1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1961 0.5178 1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 2.3693 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7218 0.4909 -2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3694 0.1988 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -1.7743 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8539 -1.3637 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1651 -0.7205 1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 -1.8474 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 0.2743 -1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 1.4102 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4032 0.6499 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1191 -0.6341 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8964 -2.0749 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1563 0.4744 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4737 0.8520 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3038 0.1986 1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7809 -0.8246 2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4475 -1.2128 2.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 2.3578 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1878 -0.3169 2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 -2.3257 1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5461 -2.8532 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2547 -1.2953 -2.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9155 0.7762 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 8 18 1 0 2 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 18 4 1 0 24 19 1 0 17 12 1 0 1 25 1 0 2 26 1 1 3 27 1 0 3 28 1 0 4 29 1 6 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 6 9 37 1 0 9 38 1 0 10 39 1 6 11 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 20 47 1 0 21 48 1 0 22 49 1 0 23 50 1 0 24 51 1 0 M END