RDKit 3D 48 51 0 0 0 0 0 0 0 0999 V2000 -2.3729 0.9396 4.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 1.2496 2.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 0.6561 1.6985 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.6851 1.3350 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8466 -1.4759 1.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7598 -0.8553 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6448 -1.6331 -0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6123 -1.0428 -1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6943 0.3592 -1.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8512 1.1480 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 0.5347 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 1.3347 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3154 2.5248 1.1982 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5530 -1.9023 -2.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4302 -1.2989 -2.9848 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3974 -3.1626 -2.2205 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.4948 -0.7471 -0.0403 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 0.2308 0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 0.1255 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0291 0.1357 -1.4783 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 0.0509 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9881 0.0009 -3.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 0.0164 -1.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6067 -0.0370 -2.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8316 -0.0641 -1.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8880 -0.0421 -0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6781 0.0064 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4434 0.0376 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 0.0903 0.5096 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2215 -0.0676 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2680 -0.0974 -0.3259 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1957 -0.0557 1.6669 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3844 1.3444 4.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 -0.1411 4.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 1.3794 5.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 2.3357 2.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4979 0.8840 3.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2078 -1.1632 2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 -2.3788 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5982 -2.7206 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4426 0.8279 -2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9535 2.2288 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0515 -0.1256 1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5631 1.2867 0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 0.1076 -1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5793 -0.0576 -3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 -0.1036 -2.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 0.0219 1.4820 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 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 8 14 1 0 14 15 2 0 14 16 1 0 4 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 26 30 1 0 30 31 2 0 30 32 1 0 12 3 1 0 11 6 1 0 29 19 2 0 28 23 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 4 38 1 1 5 39 1 0 7 40 1 0 9 41 1 0 10 42 1 0 18 43 1 0 18 44 1 0 20 45 1 0 24 46 1 0 25 47 1 0 27 48 1 0 M CHG 2 16 -1 32 -1 M END