RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 -7.5316 -0.9400 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0324 0.4903 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7413 0.5279 0.0454 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6808 0.3398 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 0.1589 2.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4145 0.4501 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1713 0.0118 -1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7717 0.3087 -1.6565 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9056 0.7821 -0.4703 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0642 1.2307 0.8701 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 -0.1735 -0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1522 -1.4946 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2068 -2.0623 -0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -2.2667 0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -1.6779 2.5407 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6265 -0.4267 2.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -0.6793 1.7032 N 0 0 0 0 0 2 0 0 0 0 0 0 4.3140 0.3929 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 1.2297 0.7737 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2132 0.7427 1.4914 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 0.6206 0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7767 -0.3236 0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0772 -0.1223 0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3837 1.0210 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3919 1.9643 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 1.7652 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 1.3560 -2.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 2.1599 -3.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0846 -0.7780 -2.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8719 -1.5501 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5406 -0.9738 1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5467 -1.4015 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 1.0766 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0176 0.9721 1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3373 -0.5889 -2.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 1.6804 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 0.2566 0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7044 -3.3126 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 -2.2483 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 -1.2104 1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8464 -0.8574 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3958 1.1777 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6271 2.8551 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3141 2.4973 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4922 -0.1462 -2.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 -1.6057 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9168 -1.2286 -1.4790 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 6 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