RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 -4.2771 -0.0771 1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 0.1610 1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3245 -0.6387 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6706 -1.6696 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3137 -1.8966 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -1.1055 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1282 -1.3427 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1257 -0.6591 -0.0377 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2553 -1.2803 0.1285 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9243 -1.1966 -1.2435 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1280 -0.6702 -2.2081 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4121 -0.9465 -1.4983 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 0.7584 -2.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 1.6719 -2.1844 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 2.8853 -2.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3057 2.8764 -3.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 1.2965 -4.0336 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 -0.3881 -1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 -0.2843 -1.8109 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 0.0551 0.2899 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2305 -0.6041 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 -0.7804 2.2616 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2364 0.8269 0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 -0.0505 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 0.7960 1.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7424 -0.0680 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 0.7578 2.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3172 0.8915 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1215 1.4632 -0.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 1.3705 1.1961 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.7498 -0.3958 -0.0236 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.3270 0.4510 0.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3097 -1.0655 -0.9065 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7264 0.5694 2.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1175 0.9809 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1914 -2.2906 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7939 -2.6777 -0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 -1.0609 1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9793 -2.4320 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1998 -2.3396 0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2358 -2.2088 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1149 -1.3094 -3.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0834 -0.1956 -1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1445 3.7551 -2.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 3.6994 -4.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5695 1.5562 0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 1.3756 1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7662 -0.6472 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0861 -0.7625 2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2274 1.4009 2.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8952 1.5113 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 -0.7498 3.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1227 -0.6638 1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0515 1.3466 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 8 7 1 1 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 10 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 8 28 1 0 28 29 2 0 28 30 1 0 3 31 1 0 31 32 2 0 31 33 1 0 6 1 1 0 12 8 1 0 21 9 1 0 17 13 1 0 1 34 1 0 2 35 1 0 4 36 1 0 5 37 1 0 7 38 1 0 7 39 1 0 9 40 1 1 10 41 1 6 11 42 1 6 12 43 1 0 15 44 1 0 16 45 1 0 23 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 25 50 1 0 25 51 1 0 26 52 1 0 26 53 1 0 27 54 1 0 M CHG 3 30 -1 31 1 33 -1 M END