RDKit 3D 45 48 0 0 0 0 0 0 0 0999 V2000 5.7115 -1.8614 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4868 -1.1517 -2.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 0.1835 -2.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 0.8284 -2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 0.1706 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3575 -1.1776 -1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -1.8312 -1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 0.8599 -1.0284 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.3459 0.0034 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9184 1.4943 0.0646 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0960 2.5462 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 2.2288 -0.7261 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 3.8938 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6707 3.9649 1.6968 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4251 5.0663 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8387 0.9701 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 1.6231 1.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 -0.4063 0.8243 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 -0.7639 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 -1.7649 -0.8096 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -1.2568 1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 -2.1761 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5984 -2.9698 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0981 -2.8740 2.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4984 -2.0051 3.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4084 -1.2125 2.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6842 -0.5097 3.6992 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.4446 -0.5101 3.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3497 -0.0249 4.6247 O 0 0 0 0 0 1 0 0 0 0 0 0 6.5540 -1.1683 -2.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 -2.6502 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5159 -2.3102 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9751 0.7362 -3.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9416 1.8690 -2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 -1.7668 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6589 -2.8813 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6283 0.2060 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5094 1.5979 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 5.9907 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 5.0856 -1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 5.0069 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1884 -2.2681 -0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0553 -3.6599 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9382 -3.4926 2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8629 -1.9746 4.0706 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