RDKit 3D 48 53 0 0 0 0 0 0 0 0999 V2000 0.0268 0.8927 2.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 0.8031 1.2893 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7397 1.3039 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 0.5446 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 -0.6099 -0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 -1.2355 -1.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6071 -0.7300 -2.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1443 0.4074 -1.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5312 1.0684 -0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3302 2.1722 -0.4527 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2371 2.3768 -1.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2935 1.1105 -2.1249 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5582 -1.0736 -0.0479 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0148 -1.6443 1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2001 0.2517 0.1890 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6305 0.1312 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 0.9445 0.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8448 0.8500 0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 -0.0881 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 -0.9134 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 -0.8087 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 -1.7269 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 -2.1312 -0.6895 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8141 -2.9402 0.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7804 0.0349 0.1005 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 1.1775 0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8613 1.5479 1.4224 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 0.1932 2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2425 1.9387 2.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7889 0.5703 3.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 2.3848 0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4148 1.2925 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0516 -2.1258 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0876 -1.2464 -3.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8379 3.1691 -2.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2215 2.6565 -1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7413 -1.0195 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 -1.7969 1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -2.6295 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0657 0.9518 -0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1033 1.7280 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 -1.6540 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 -2.6472 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 -1.2256 -2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4251 -2.8535 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 -2.4161 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4422 2.0210 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7995 0.9932 1.6784 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 5 13 1 0 13 14 1 1 13 23 1 0 23 24 1 0 23 22 1 0 22 21 1 0 21 20 2 0 20 19 1 0 19 18 2 0 18 27 1 0 27 26 1 0 26 25 1 0 18 17 1 0 17 16 2 0 16 15 1 0 15 2 1 0 9 4 1 0 15 13 1 0 12 8 1 0 16 21 1 0 25 19 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 6 33 1 0 7 34 1 0 11 35 1 0 11 36 1 0 14 37 1 0 14 38 1 0 14 39 1 0 23 45 1 6 24 46 1 0 22 43 1 0 22 44 1 0 20 42 1 0 26 47 1 0 26 48 1 0 17 41 1 0 15 40 1 6 M END