RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 -5.8128 -2.9267 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3120 -1.9321 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5556 -0.7160 0.3952 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4084 -0.6834 1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0111 -1.5727 1.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7169 0.6217 0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 1.3987 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9144 2.6995 0.0019 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0251 2.5519 1.2571 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8364 1.2762 2.2808 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 2.0707 0.9649 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1961 2.8548 0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0655 4.0198 -0.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 2.1528 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 1.0202 -1.4924 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 0.2160 -1.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5025 0.0109 -0.5772 N 0 0 0 0 0 2 0 0 0 0 0 0 4.5695 -0.6377 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 -0.8132 -2.4282 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 -0.2721 -2.7555 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8266 -1.1206 -0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8846 -0.8977 1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9933 -1.3300 1.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0464 -1.9773 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 -2.1972 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8808 -1.7699 -0.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8536 3.8267 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6061 4.7031 0.2897 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2775 1.1175 -1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4174 -3.8372 -0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 -3.2029 -0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8482 -2.4877 -1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3565 -1.6780 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2808 -2.3513 1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3004 2.8845 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 3.4860 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 1.0750 1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8593 1.6240 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 2.9002 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0588 -0.3966 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 -1.1632 2.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9059 -2.3160 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8094 -2.6947 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8307 -1.9372 -1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2022 1.6890 -1.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5778 1.4040 -2.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4949 0.0566 -1.6665 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 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 8 27 1 0 27 28 3 0 7 29 1 0 10 6 1 0 20 16 2 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 8 35 1 6 9 36 1 1 11 37 1 0 14 38 1 0 14 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 26 44 1 0 29 45 1 0 29 46 1 0 29 47 1 0 M CHG 1 17 -1 M END