RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 -4.4287 -0.9802 -0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7263 -0.5814 -0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1225 -0.5596 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2315 -0.9277 1.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9365 -1.3243 1.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -1.3587 0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 -1.7878 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0806 -0.6578 -0.2545 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2664 -1.2294 -0.7290 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8520 -0.1646 -1.6463 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3564 0.5147 -2.2423 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5053 0.3286 -1.3304 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 1.8985 -2.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 2.1185 -3.9767 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5412 3.4763 -4.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 4.2842 -3.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 3.3183 -1.9292 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7859 0.6070 -0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 1.6306 -1.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9963 -0.1533 0.3785 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 -1.3526 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6135 -2.3812 0.9194 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9686 0.1715 1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 -0.3324 1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 0.0455 2.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7862 -0.4446 1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 -1.8625 1.7094 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9187 0.1342 1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7961 -0.5607 2.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 1.3923 0.9662 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.4889 -0.1541 1.2980 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.8431 -0.2478 2.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2262 0.2438 0.3827 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.1095 -0.9763 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4025 -0.2862 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5153 -0.9024 3.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2315 -1.5854 2.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 -2.3777 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 -2.5017 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 -2.1705 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4756 -0.6241 -2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6371 -0.0865 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 1.2131 -0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 3.8284 -5.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 5.3617 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 1.2591 1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 -0.2837 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3408 -1.4219 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6805 0.0891 0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0552 -0.3880 3.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4002 1.1349 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1364 -0.0312 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4826 -0.1289 2.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3193 -2.2249 2.4490 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 6 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