@MOLECULE iguratimod 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4876 2.9160 0.1014 S.O2 1 UNL11111111111 2.3927 2 O 2.6165 1.3720 0.4959 O.2 1 UNL11111111111 -0.2349 3 O -1.8355 -1.2936 -1.2532 O.3 1 UNL11111111111 -0.2964 4 O 3.1477 -2.4775 -0.7437 O.2 1 UNL11111111111 -0.4733 5 O -3.9245 2.8710 0.1240 O.2 1 UNL11111111111 -0.8839 6 O -1.7052 3.2338 1.2609 O.2 1 UNL11111111111 -0.8791 7 O 6.5466 0.7596 0.5691 O.2 1 UNL11111111111 -0.5258 8 N -2.0636 1.2860 -0.4142 N.pl3 1 UNL11111111111 -0.8224 9 N 5.3496 -1.0805 -0.0025 N.am 1 UNL11111111111 -0.5180 10 C -0.8262 0.6832 -0.3209 C.ar 1 UNL11111111111 0.3236 11 C 1.6598 -0.6802 -0.3664 C.ar 1 UNL11111111111 -0.3408 12 C 1.5450 0.6432 0.0706 C.ar 1 UNL11111111111 0.3155 13 C -0.7073 -0.6819 -0.7408 C.ar 1 UNL11111111111 -0.0277 14 C 0.3325 1.3371 0.1117 C.ar 1 UNL11111111111 -0.3886 15 C 0.4943 -1.3525 -0.7688 C.ar 1 UNL11111111111 0.0004 16 C 2.9578 -1.3324 -0.3939 C.ar 1 UNL11111111111 0.4924 17 C 4.0853 -0.4674 0.0503 C.ar 1 UNL11111111111 -0.0800 18 C 3.8512 0.7977 0.4647 C.ar 1 UNL11111111111 0.0582 19 C -1.9370 3.9045 -1.2532 C.3 1 UNL11111111111 -0.7523 20 C -2.6081 -1.9867 -0.3502 C.ar 1 UNL11111111111 0.2183 21 C -2.3536 -2.0690 1.0157 C.ar 1 UNL11111111111 -0.2717 22 C -3.7157 -2.5998 -0.9465 C.ar 1 UNL11111111111 -0.2477 23 C -3.2484 -2.7840 1.8102 C.ar 1 UNL11111111111 -0.0804 24 C -4.5929 -3.3055 -0.1321 C.ar 1 UNL11111111111 -0.0843 25 C -4.3636 -3.3965 1.2425 C.ar 1 UNL11111111111 -0.2077 26 C 6.5348 -0.4117 0.2554 C.2 1 UNL11111111111 0.4705 27 H 0.3219 2.3478 0.5227 H 1 UNL11111111111 0.2130 28 H 0.5532 -2.3952 -1.1018 H 1 UNL11111111111 0.1927 29 H -2.8437 0.6619 -0.6562 H 1 UNL11111111111 0.3425 30 H 4.5586 1.5480 0.8249 H 1 UNL11111111111 0.2205 31 H -2.6295 3.8655 -2.1072 H 1 UNL11111111111 0.1965 32 H -1.8446 4.9642 -0.9714 H 1 UNL11111111111 0.1956 33 H -0.9487 3.6008 -1.6304 H 1 UNL11111111111 0.1974 34 H 5.3399 -2.0609 -0.2877 H 1 UNL11111111111 0.3372 35 H -1.4817 -1.5934 1.4575 H 1 UNL11111111111 0.1747 36 H -3.8728 -2.5208 -2.0186 H 1 UNL11111111111 0.1710 37 H -3.0714 -2.8615 2.8831 H 1 UNL11111111111 0.1537 38 H -5.4649 -3.7913 -0.5698 H 1 UNL11111111111 0.1532 39 H -5.0578 -3.9496 1.8708 H 1 UNL11111111111 0.1568 40 H 7.4452 -1.0209 0.1584 H 1 UNL11111111111 0.1385 @BOND 1 1 5 2 2 1 6 2 3 1 8 1 4 1 19 1 5 2 12 ar 6 2 18 ar 7 3 13 1 8 3 20 1 9 4 16 2 10 7 26 2 11 8 10 1 12 8 29 1 13 9 17 1 14 9 26 am 15 9 34 1 16 10 13 ar 17 10 14 ar 18 11 12 ar 19 11 15 ar 20 11 16 ar 21 12 14 ar 22 13 15 ar 23 14 27 1 24 15 28 1 25 16 17 ar 26 17 18 ar 27 18 30 1 28 19 31 1 29 19 32 1 30 19 33 1 31 20 21 ar 32 20 22 ar 33 21 23 ar 34 21 35 1 35 22 24 ar 36 22 36 1 37 23 25 ar 38 23 37 1 39 24 25 ar 40 24 38 1 41 25 39 1 42 26 40 1