RDKit 3D 45 48 0 0 0 0 0 0 0 0999 V2000 6.2418 -2.2866 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9827 -1.4897 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 -0.1328 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 0.5959 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 0.0042 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 -1.3661 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 -2.1040 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 0.7789 -0.4686 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 0.3314 -0.0604 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7036 1.5580 -0.4366 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2742 2.5275 0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 2.1267 -0.0535 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 3.8992 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1605 4.3691 0.0277 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7853 4.6026 1.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 1.0679 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 1.6421 0.8279 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -0.2361 -0.4153 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7638 -0.6991 -0.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4263 -1.7335 -1.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2405 -1.0297 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -2.4144 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 -3.2329 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5387 -2.6934 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6845 -1.3360 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5446 -0.5159 -0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7791 0.8400 -1.0877 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0088 1.2635 -1.9633 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 1.4480 -0.6429 O 0 0 0 0 0 1 0 0 0 0 0 0 7.0501 -1.6632 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0931 -3.1118 0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5529 -2.6971 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9921 0.3727 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9327 1.6512 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 -1.9089 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 -3.1681 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 0.1341 1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8001 1.7146 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 4.8363 0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9595 3.9745 2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 5.5349 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -2.8934 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1441 -4.2978 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4149 -3.3334 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6838 -0.9297 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 13 15 1 0 10 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 18 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 7 2 1 0 12 8 1 0 19 9 1 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 4 34 1 0 6 35 1 0 7 36 1 0 9 37 1 1 10 38 1 6 15 39 1 0 15 40 1 0 15 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 25 45 1 0 M CHG 2 27 1 29 -1 M END