@MOLECULE 5-chloro-n-{2-[(4-iodobenzyl)(methyl)amino]ethyl}-2-methoxy-4-(methylamino)benzamide 49 50 0 0 0 SMALL USER_CHARGES @ATOM 1 I -3.9433 -2.2433 0.1469 I 1 UNL111111 -0.0265 2 CL 6.8616 0.1930 -0.0473 Cl 1 UNL111111 -0.0883 3 O 1.3225 -1.5580 0.1218 O.3 1 UNL111111 -0.3066 4 O 1.4574 1.3294 2.0903 O.2 1 UNL111111 -0.5365 5 N -1.2980 4.3085 -0.1551 N.3 1 UNL111111 -0.4010 6 N 1.8299 2.3549 0.1093 N.am 1 UNL111111 -0.6146 7 N 5.8148 -2.4834 -0.8396 N.pl3 1 UNL111111 -0.4979 8 C -0.1285 3.5996 -0.7234 C.3 1 UNL111111 -0.1553 9 C -2.5595 3.9222 -0.8368 C.3 1 UNL111111 -0.1304 10 C 0.9186 3.4573 0.4125 C.3 1 UNL111111 -0.0683 11 C -2.8618 2.4647 -0.6052 C.ar 1 UNL111111 -0.0067 12 C -1.1143 5.7736 -0.2070 C.3 1 UNL111111 -0.2799 13 C 2.0066 1.3154 1.0070 C.2 1 UNL111111 0.6301 14 C 2.9380 0.2686 0.5330 C.ar 1 UNL111111 -0.3724 15 C -2.6310 1.8846 0.6446 C.ar 1 UNL111111 -0.1248 16 C -3.3970 1.6963 -1.6392 C.ar 1 UNL111111 -0.1717 17 C 2.5611 -1.0287 0.1618 C.ar 1 UNL111111 0.3846 18 C 4.2955 0.6096 0.4726 C.ar 1 UNL111111 0.0086 19 C 4.8640 -1.6177 -0.3717 C.ar 1 UNL111111 0.3318 20 C 3.5071 -1.9639 -0.2892 C.ar 1 UNL111111 -0.4312 21 C -2.9312 0.5431 0.8651 C.ar 1 UNL111111 -0.1581 22 C -3.7059 0.3529 -1.4289 C.ar 1 UNL111111 -0.1494 23 C 5.2255 -0.3011 0.0280 C.ar 1 UNL111111 -0.2133 24 C -3.4701 -0.2067 -0.1776 C.ar 1 UNL111111 -0.0669 25 C 5.4788 -3.8546 -1.2129 C.3 1 UNL111111 -0.2264 26 C 0.2317 -0.8653 0.7123 C.3 1 UNL111111 -0.2060 27 H 0.3104 4.1084 -1.6034 H 1 UNL111111 0.1176 28 H -0.4326 2.5842 -1.0647 H 1 UNL111111 0.1554 29 H -3.3868 4.5278 -0.3896 H 1 UNL111111 0.1581 30 H -2.5480 4.1611 -1.9232 H 1 UNL111111 0.1247 31 H 1.4956 4.3973 0.5398 H 1 UNL111111 0.1309 32 H 0.3950 3.2688 1.3851 H 1 UNL111111 0.1903 33 H -1.0563 6.1931 -1.2220 H 1 UNL111111 0.1193 34 H -0.1900 6.0394 0.3332 H 1 UNL111111 0.1492 35 H -1.9484 6.2598 0.3270 H 1 UNL111111 0.1483 36 H 2.2684 2.3453 -0.7948 H 1 UNL111111 0.3117 37 H -2.1983 2.4919 1.4462 H 1 UNL111111 0.1869 38 H -3.5774 2.1396 -2.6171 H 1 UNL111111 0.1561 39 H 4.6082 1.6134 0.7837 H 1 UNL111111 0.1732 40 H 3.1589 -2.9540 -0.5661 H 1 UNL111111 0.1879 41 H -2.7412 0.1122 1.8489 H 1 UNL111111 0.1707 42 H -4.1243 -0.2290 -2.2498 H 1 UNL111111 0.1637 43 H 6.7922 -2.2466 -0.8045 H 1 UNL111111 0.3208 44 H 5.0613 -4.4206 -0.3591 H 1 UNL111111 0.1505 45 H 6.3817 -4.3804 -1.5674 H 1 UNL111111 0.1478 46 H 4.7353 -3.8677 -2.0337 H 1 UNL111111 0.1548 47 H -0.5843 -1.5886 0.5828 H 1 UNL111111 0.1510 48 H 0.4142 -0.6763 1.7787 H 1 UNL111111 0.1683 49 H 0.0129 0.0600 0.1715 H 1 UNL111111 0.1397 @BOND 1 38 16 1 2 42 22 1 3 46 25 1 4 30 9 1 5 16 22 ar 6 16 11 ar 7 27 8 1 8 45 25 1 9 22 24 ar 10 33 12 1 11 25 7 1 12 25 44 1 13 28 8 1 14 7 43 1 15 7 19 1 16 9 11 1 17 9 29 1 18 9 5 1 19 36 6 1 20 8 5 1 21 8 10 1 22 11 15 ar 23 40 20 1 24 19 20 ar 25 19 23 ar 26 20 17 ar 27 12 5 1 28 12 35 1 29 12 34 1 30 24 1 1 31 24 21 ar 32 2 23 1 33 23 18 ar 34 6 10 1 35 6 13 am 36 3 17 1 37 3 26 1 38 17 14 ar 39 49 26 1 40 10 31 1 41 10 32 1 42 18 14 ar 43 18 39 1 44 14 13 1 45 47 26 1 46 15 21 ar 47 15 37 1 48 26 48 1 49 21 41 1 50 13 4 2