@MOLECULE N-[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]ethyl]-2-iodo-acetamide 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5477 0.9386 0.2650 C.3 1 UNL111111 -0.4057 2 C 3.1721 1.0989 0.8707 C.2 1 UNL111111 0.5714 3 O 3.0142 1.3901 2.0382 O.2 1 UNL111111 -0.5087 4 N 2.0999 0.9240 0.0239 N.am 1 UNL111111 -0.6035 5 C 0.7376 1.0899 0.5359 C.3 1 UNL111111 -0.0760 6 C 0.2961 2.5748 0.3841 C.3 1 UNL111111 -0.0856 7 N -1.0980 2.6641 0.8251 N.3 1 UNL111111 -0.8705 8 S -2.3583 2.8452 -0.3592 S.O2 1 UNL111111 2.3577 9 O -3.4475 3.4525 0.3696 O.2 1 UNL111111 -0.8991 10 O -1.7814 3.4854 -1.5221 O.2 1 UNL111111 -0.9300 11 C -2.7314 1.1871 -0.8142 C.ar 1 UNL111111 -0.4059 12 C -2.3860 0.8013 -2.0884 C.ar 1 UNL111111 -0.0400 13 C -2.6091 -0.5218 -2.5279 C.ar 1 UNL111111 -0.2212 14 C -3.1992 -1.4287 -1.6854 C.ar 1 UNL111111 -0.0615 15 C -3.6008 -1.0499 -0.3772 C.ar 1 UNL111111 -0.0813 16 C -3.3480 0.2673 0.0818 C.ar 1 UNL111111 0.0859 17 C -3.7130 0.6018 1.4167 C.ar 1 UNL111111 -0.1947 18 C -4.2791 -0.3300 2.2470 C.ar 1 UNL111111 -0.0901 19 C -4.5551 -1.6375 1.7906 C.ar 1 UNL111111 -0.2637 20 C -4.2428 -1.9912 0.4968 C.ar 1 UNL111111 0.1694 21 N -4.4933 -3.2952 -0.0508 N.pl3 1 UNL111111 -0.4111 22 C -4.4096 -4.3889 0.9370 C.3 1 UNL111111 -0.2666 23 C -5.7813 -3.3256 -0.7816 C.3 1 UNL111111 -0.2652 24 I 4.9871 -1.1221 -0.2022 I 1 UNL111111 0.0028 25 H 4.6751 1.5275 -0.6558 H 1 UNL111111 0.1762 26 H 5.3115 1.2767 0.9935 H 1 UNL111111 0.1977 27 H 2.2064 0.7041 -0.9492 H 1 UNL111111 0.3111 28 H 0.0480 0.4118 -0.0109 H 1 UNL111111 0.1472 29 H 0.6892 0.7947 1.6117 H 1 UNL111111 0.1733 30 H 0.9554 3.2172 1.0104 H 1 UNL111111 0.1457 31 H 0.4424 2.9183 -0.6649 H 1 UNL111111 0.1534 32 H -1.2194 3.1736 1.6942 H 1 UNL111111 0.3109 33 H -1.9252 1.5028 -2.7993 H 1 UNL111111 0.1788 34 H -2.3057 -0.8073 -3.5322 H 1 UNL111111 0.1570 35 H -3.3579 -2.4640 -2.0031 H 1 UNL111111 0.1717 36 H -3.5582 1.6169 1.7927 H 1 UNL111111 0.1892 37 H -4.5417 -0.0690 3.2733 H 1 UNL111111 0.1549 38 H -5.0299 -2.3404 2.4697 H 1 UNL111111 0.1603 39 H -5.2446 -4.4295 1.6523 H 1 UNL111111 0.1257 40 H -4.3762 -5.3451 0.3848 H 1 UNL111111 0.1528 41 H -3.4648 -4.3036 1.5007 H 1 UNL111111 0.1526 42 H -5.8172 -2.4960 -1.5078 H 1 UNL111111 0.1492 43 H -5.8412 -4.2703 -1.3476 H 1 UNL111111 0.1538 44 H -6.6647 -3.2458 -0.1290 H 1 UNL111111 0.1315 @BOND 1 34 13 1 2 33 12 1 3 13 12 ar 4 13 14 ar 5 12 11 ar 6 35 14 1 7 14 15 ar 8 10 8 2 9 42 23 1 10 43 23 1 11 27 4 1 12 11 8 1 13 11 16 ar 14 23 44 1 15 23 21 1 16 31 6 1 17 25 1 1 18 15 16 ar 19 15 20 ar 20 8 9 2 21 8 7 1 22 24 1 1 23 21 20 1 24 21 22 1 25 28 5 1 26 4 5 1 27 4 2 am 28 16 17 ar 29 1 2 1 30 1 26 1 31 6 5 1 32 6 7 1 33 6 30 1 34 40 22 1 35 20 19 ar 36 5 29 1 37 7 32 1 38 2 3 2 39 22 41 1 40 22 39 1 41 17 36 1 42 17 18 ar 43 19 18 ar 44 19 38 1 45 18 37 1