RDKit 3D 44 47 0 0 0 0 0 0 0 0999 V2000 1.4970 1.5284 -2.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9445 0.8790 -1.6073 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3152 0.9421 -1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1431 1.5019 -2.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7024 0.2809 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9696 0.1313 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 -0.5760 1.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -1.0696 2.0760 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 -0.3281 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 -0.3718 0.3613 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 0.2202 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6396 0.2074 -1.1823 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -1.1445 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 -1.4127 -0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0508 -2.4255 -1.0224 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5405 -0.4187 0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 -0.3360 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7240 -1.3808 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 -1.3046 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7876 -0.1810 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0573 0.8738 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6507 0.8015 0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9446 1.9567 1.0615 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7136 1.8816 1.2045 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6169 2.9478 1.3810 O 0 0 0 0 0 1 0 0 0 0 0 0 6.2065 -0.7678 2.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0902 0.2513 1.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 0.5342 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 0.7884 -3.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 2.3157 -2.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 1.9818 -3.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6702 -2.0601 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 -0.8894 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 0.3885 0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2674 -2.2896 -0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6845 -2.1346 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8728 -0.1278 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5985 1.7448 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1873 -0.5344 3.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5739 -1.7882 2.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1505 1.1861 2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1128 -0.1104 1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7799 -0.0926 -0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4515 1.5870 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 7 26 1 0 26 27 1 0 27 28 1 0 11 2 1 0 9 5 2 0 28 6 1 0 22 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 13 32 1 0 13 33 1 0 16 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 26 39 1 0 26 40 1 0 27 41 1 0 27 42 1 0 28 43 1 0 28 44 1 0 M CHG 2 23 1 25 -1 M END