RDKit 3D 45 47 0 0 0 0 0 0 0 0999 V2000 4.3616 -2.1459 1.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5231 -1.2952 0.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2107 -1.6836 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3945 -0.8794 -1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -1.2868 -2.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -0.5049 -3.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 0.6946 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0925 1.1004 -1.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8865 0.3316 -0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 0.6719 0.4564 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9638 -0.1145 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 2.7084 -1.1316 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6877 3.4617 -0.9216 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3135 3.1796 -2.2911 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 2.4436 0.1925 N 0 0 0 0 0 2 0 0 0 0 0 0 -1.6373 1.8447 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7165 2.4645 -0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9789 1.8652 -0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2073 0.6505 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1572 0.0373 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 0.6049 0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 0.0150 1.5147 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 -1.4323 1.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 -2.1248 2.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -1.5004 3.7505 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0837 2.5202 -1.2695 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.0598 1.8172 -1.5831 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0051 3.7366 -1.4949 O 0 0 0 0 0 1 0 0 0 0 0 0 4.9157 -1.5315 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0985 -2.7138 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7289 -2.8482 2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6091 -2.6180 -0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4885 -2.2202 -3.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -0.8185 -4.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 1.3215 -3.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 0.2519 2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 3.4232 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1879 0.1844 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3553 -0.8842 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0374 0.5282 1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 -1.8588 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4188 -1.6186 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0523 -2.0512 2.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 -3.1827 2.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 -0.5437 3.5270 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 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 8 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 18 26 1 0 26 27 2 0 26 28 1 0 11 2 1 0 9 4 1 0 21 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 11 36 1 0 17 37 1 0 19 38 1 0 20 39 1 0 22 40 1 0 23 41 1 0 23 42 1 0 24 43 1 0 24 44 1 0 25 45 1 0 M CHG 3 15 -1 26 1 28 -1 M END