RDKit 3D 50 52 0 0 0 0 0 0 0 0999 V2000 -3.7156 -2.4863 -1.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8179 -1.9696 -0.6081 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -0.9834 -0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9358 -0.6145 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8838 -1.3231 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 -1.2958 1.9159 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 -1.9782 1.6417 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0174 -2.3864 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3557 -3.3209 1.2321 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0463 -2.4173 3.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 0.4417 -0.2743 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3873 1.8602 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1557 2.5120 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7114 3.7787 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 4.4360 0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 3.8257 1.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2113 2.5543 1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 2.0207 2.2877 N 0 0 0 0 0 4 0 0 0 0 0 0 1.8169 1.9019 2.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 1.8147 3.3718 O 0 0 0 0 0 1 0 0 0 0 0 0 0.9777 0.3184 -1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1898 1.2050 -1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 2.3026 -2.0614 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 0.7031 -0.7019 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 -0.6524 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5757 -1.2046 0.7265 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -1.5156 -0.8504 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 -1.0772 -1.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2569 -1.7318 -2.8458 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -2.9662 -0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 1.6648 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0321 -0.5279 -2.1160 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.1778 -2.6263 -2.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 -1.7919 -1.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1106 -3.4746 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8495 -3.4938 3.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2924 -1.9039 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0205 -2.2082 3.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 0.2717 0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3602 2.0215 -1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3086 4.2352 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 5.4150 0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 4.3372 2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4106 0.6239 -2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 -3.4635 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -3.2545 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3607 -3.3045 -1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 2.6838 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 1.3636 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4305 1.6806 0.7192 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 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 7 10 1 0 4 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 11 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 2 0 27 30 1 0 24 31 1 0 3 32 1 0 8 2 1 0 17 12 1 0 28 21 1 0 1 33 1 0 1 34 1 0 1 35 1 0 10 36 1 0 10 37 1 0 10 38 1 0 11 39 1 1 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 21 44 1 0 30 45 1 0 30 46 1 0 30 47 1 0 31 48 1 0 31 49 1 0 31 50 1 0 M CHG 3 18 1 20 -1 32 -1 M END