RDKit 3D 46 49 0 0 0 0 0 0 0 0999 V2000 -3.6496 3.5443 2.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6406 2.1137 2.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 1.5373 2.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4063 2.1355 1.7493 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 0.0190 2.1444 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5673 -0.5565 1.0742 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4328 -1.3985 0.2581 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7763 -1.2376 0.6041 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8293 -0.5495 1.8577 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0486 -1.7973 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 -2.5040 -1.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -2.7016 -3.0581 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 -2.1463 -2.8105 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 -1.5873 -1.5326 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1225 -2.9098 -1.7823 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4013 -1.3628 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 -0.3498 2.1178 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4639 0.4938 0.5499 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6726 -0.3543 -0.6613 N 0 0 0 0 0 4 0 0 0 0 0 0 2.8288 -0.1353 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -0.7089 -2.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7308 -0.2532 -2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4202 0.7555 -1.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8756 1.3404 -0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 0.9025 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 1.2661 0.6094 N 0 0 0 0 0 4 0 0 0 0 0 0 6.7856 1.1862 -2.1336 N 0 0 0 0 0 4 0 0 0 0 0 0 7.3326 2.0138 -1.3963 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 0.6875 -3.1494 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3927 3.9040 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 3.9446 3.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6597 3.8829 2.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2044 -0.2406 3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1975 0.2271 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3262 -0.7706 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5767 0.1504 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4879 -3.6040 -2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4613 -3.0599 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7206 -1.9020 2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 -2.1335 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6936 1.2289 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9859 -1.0020 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0148 -1.4601 -2.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -0.6543 -3.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 2.0900 -0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 1.9563 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 11 15 1 0 6 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 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 23 27 1 0 27 28 2 0 27 29 1 0 9 5 1 0 14 10 2 0 26 18 1 0 25 20 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 1 6 34 1 6 8 35 1 0 9 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 6 19 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 26 46 1 0 M CHG 4 19 1 26 1 27 1 29 -1 M END