@MOLECULE gs-39783 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.0403 -3.6305 0.1878 S.3 1 UNL1111111111 0.1658 2 O 1.2756 2.8392 0.4590 O.2 1 UNL1111111111 -0.4764 3 O -0.8599 2.9425 0.4276 O.2 1 UNL1111111111 -0.4781 4 N 2.5453 0.5821 0.3052 N.pl3 1 UNL1111111111 -0.4470 5 N -2.3344 0.8136 0.3034 N.pl3 1 UNL1111111111 -0.4524 6 N 1.2124 -1.3096 0.2370 N.ar 1 UNL1111111111 -0.6091 7 N -1.1849 -1.1967 0.2337 N.ar 1 UNL1111111111 -0.6414 8 N 0.1793 2.2814 0.4053 N.pl3 1 UNL1111111111 0.7267 9 C 3.7579 -0.2578 0.2609 C.3 1 UNL1111111111 0.1086 10 C -3.6226 0.0972 0.2660 C.3 1 UNL1111111111 0.1081 11 C 4.9358 0.5379 0.8640 C.3 1 UNL1111111111 -0.3037 12 C 4.1746 -0.5511 -1.1974 C.3 1 UNL1111111111 -0.2943 13 C -4.0609 -0.1771 -1.1910 C.3 1 UNL1111111111 -0.2946 14 C -4.7180 1.0156 0.8503 C.3 1 UNL1111111111 -0.2987 15 C 5.6272 1.2492 -0.3107 C.3 1 UNL1111111111 -0.2636 16 C 5.1319 0.5774 -1.6081 C.3 1 UNL1111111111 -0.2642 17 C -4.8966 1.0376 -1.6234 C.3 1 UNL1111111111 -0.2599 18 C -5.3270 1.7760 -0.3392 C.3 1 UNL1111111111 -0.2642 19 C 1.3039 0.0617 0.2798 C.ar 1 UNL1111111111 0.5019 20 C -1.1486 0.1757 0.2771 C.ar 1 UNL1111111111 0.5050 21 C 0.1133 0.8838 0.3146 C.ar 1 UNL1111111111 -0.4969 22 C -0.0126 -1.8582 0.2274 C.ar 1 UNL1111111111 0.3849 23 C -1.8170 -4.0081 0.1584 C.3 1 UNL1111111111 -0.4997 24 H 3.5638 -1.2063 0.8234 H 1 UNL1111111111 0.1680 25 H -3.5252 -0.8550 0.8443 H 1 UNL1111111111 0.1588 26 H 4.6093 1.2470 1.6431 H 1 UNL1111111111 0.1526 27 H 5.6309 -0.1574 1.3662 H 1 UNL1111111111 0.1463 28 H 4.6705 -1.5354 -1.2519 H 1 UNL1111111111 0.1450 29 H 3.2993 -0.6223 -1.8638 H 1 UNL1111111111 0.1570 30 H -4.6567 -1.1048 -1.2333 H 1 UNL1111111111 0.1415 31 H -3.1950 -0.3452 -1.8517 H 1 UNL1111111111 0.1553 32 H -4.3248 1.6992 1.6215 H 1 UNL1111111111 0.1534 33 H -5.4819 0.4009 1.3569 H 1 UNL1111111111 0.1457 34 H 6.7232 1.1842 -0.2227 H 1 UNL1111111111 0.1331 35 H 5.3868 2.3260 -0.3154 H 1 UNL1111111111 0.1393 36 H 4.6162 1.3112 -2.2519 H 1 UNL1111111111 0.1399 37 H 5.9729 0.1888 -2.2031 H 1 UNL1111111111 0.1318 38 H -5.7701 0.7277 -2.2189 H 1 UNL1111111111 0.1315 39 H -4.3030 1.7043 -2.2737 H 1 UNL1111111111 0.1406 40 H -4.9770 2.8224 -0.3579 H 1 UNL1111111111 0.1403 41 H -6.4242 1.8256 -0.2574 H 1 UNL1111111111 0.1333 42 H 2.6696 1.5986 0.2744 H 1 UNL1111111111 0.3529 43 H -2.3576 1.8373 0.2626 H 1 UNL1111111111 0.3550 44 H -1.9416 -5.0960 0.1759 H 1 UNL1111111111 0.1660 45 H -2.3410 -3.5785 1.0220 H 1 UNL1111111111 0.1789 46 H -2.3038 -3.6101 -0.7410 H 1 UNL1111111111 0.1771 @BOND 1 1 22 1 2 1 23 1 3 2 8 2 4 3 8 2 5 4 9 1 6 4 19 1 7 4 42 1 8 5 10 1 9 5 20 1 10 5 43 1 11 6 19 ar 12 6 22 ar 13 7 20 ar 14 7 22 ar 15 8 21 1 16 9 11 1 17 9 12 1 18 9 24 1 19 10 13 1 20 10 14 1 21 10 25 1 22 11 15 1 23 11 26 1 24 11 27 1 25 12 16 1 26 12 28 1 27 12 29 1 28 13 17 1 29 13 30 1 30 13 31 1 31 14 18 1 32 14 32 1 33 14 33 1 34 15 16 1 35 15 34 1 36 15 35 1 37 16 36 1 38 16 37 1 39 17 18 1 40 17 38 1 41 17 39 1 42 18 40 1 43 18 41 1 44 19 21 ar 45 20 21 ar 46 23 44 1 47 23 45 1 48 23 46 1