@MOLECULE n-{1-[n-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]-4-piperidinyl}ethanesulfonamide 49 50 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.7727 -0.0144 -0.5795 C.3 1 UNL111111 0.1170 2 C -9.6030 1.4355 -0.7280 C.3 1 UNL111111 -0.4220 3 C -4.0410 -1.0666 -1.4434 C.3 1 UNL111111 -0.3352 4 C -2.6672 -0.5317 -1.8777 C.3 1 UNL111111 -0.0799 5 C 4.2153 -2.2232 -0.0548 C.ar 1 UNL111111 -0.2523 6 CL 6.2345 -0.6524 -0.7166 Cl 1 UNL111111 -0.0602 7 C 4.6416 -0.8959 -0.1523 C.ar 1 UNL111111 -0.0028 8 C 3.8103 0.1525 0.1893 C.ar 1 UNL111111 -0.0836 9 I 4.4263 2.1710 0.0418 I 1 UNL111111 0.0172 10 C 2.5130 -0.1030 0.6482 C.ar 1 UNL111111 -0.2200 11 C 2.0492 -1.4135 0.7651 C.ar 1 UNL111111 0.1457 12 N 0.8120 -1.7437 1.3465 N.pl3 1 UNL111111 -0.4544 13 C -0.3097 -0.8200 1.1551 C.3 1 UNL111111 -0.1740 14 C -1.0743 -1.1390 -0.1325 C.2 1 UNL111111 0.5269 15 N -1.8501 -0.1389 -0.7137 N.am 1 UNL111111 -0.4783 16 C -2.5140 0.8806 0.1124 C.3 1 UNL111111 -0.0736 17 C -3.8831 0.3965 0.6191 C.3 1 UNL111111 -0.3697 18 N -6.0576 -0.5985 -0.1557 N.3 1 UNL111111 -0.8856 19 S -7.3114 0.4712 0.4262 S.O2 1 UNL111111 2.3211 20 C -8.5309 0.3655 -0.8752 C.3 1 UNL111111 -0.5395 21 O -7.8221 -0.1601 1.6195 O.2 1 UNL111111 -0.9057 22 O -6.7458 1.8008 0.4583 O.2 1 UNL111111 -0.9196 23 O -0.9310 -2.2116 -0.6827 O.2 1 UNL111111 -0.5235 24 C 2.9333 -2.4772 0.3978 C.ar 1 UNL111111 0.1694 25 O 2.3938 -3.7130 0.5734 O.3 1 UNL111111 -0.3076 26 C 3.0197 -4.7855 -0.1211 C.3 1 UNL111111 -0.1956 27 H -4.9786 0.8954 -1.2058 H 1 UNL111111 0.1483 28 H -10.3156 1.3938 -1.5634 H 1 UNL111111 0.1484 29 H -10.1929 1.3182 0.1932 H 1 UNL111111 0.1579 30 H -9.1834 2.4540 -0.7217 H 1 UNL111111 0.1633 31 H -3.9151 -2.0135 -0.8842 H 1 UNL111111 0.1586 32 H -4.6513 -1.3230 -2.3283 H 1 UNL111111 0.1556 33 H -2.1200 -1.3044 -2.4692 H 1 UNL111111 0.1706 34 H -2.7743 0.3576 -2.5372 H 1 UNL111111 0.1427 35 H 4.8876 -3.0360 -0.3288 H 1 UNL111111 0.1870 36 H 1.8555 0.7213 0.9263 H 1 UNL111111 0.1752 37 H 0.5307 -2.7195 1.1790 H 1 UNL111111 0.3149 38 H -0.9964 -0.9500 2.0294 H 1 UNL111111 0.1752 39 H 0.0322 0.2385 1.1738 H 1 UNL111111 0.1733 40 H -1.8661 1.1848 0.9603 H 1 UNL111111 0.1410 41 H -2.6420 1.7958 -0.5152 H 1 UNL111111 0.1546 42 H -4.3743 1.2114 1.1917 H 1 UNL111111 0.1781 43 H -3.7639 -0.4463 1.3206 H 1 UNL111111 0.1479 44 H -5.9345 -1.4476 0.3962 H 1 UNL111111 0.3028 45 H -8.9954 -0.6426 -0.8730 H 1 UNL111111 0.1800 46 H -8.0368 0.4540 -1.8645 H 1 UNL111111 0.1776 47 H 3.1209 -4.5661 -1.1887 H 1 UNL111111 0.1408 48 H 3.9846 -5.0231 0.3376 H 1 UNL111111 0.1361 49 H 2.3044 -5.6054 0.0352 H 1 UNL111111 0.1558 @BOND 1 34 4 1 2 33 4 1 3 32 3 1 4 4 3 1 5 4 15 1 6 46 20 1 7 28 2 1 8 3 31 1 9 3 1 1 10 27 1 1 11 47 26 1 12 20 45 1 13 20 2 1 14 20 19 1 15 2 30 1 16 2 29 1 17 6 7 1 18 15 14 am 19 15 16 1 20 23 14 2 21 1 18 1 22 1 17 1 23 41 16 1 24 35 5 1 25 18 44 1 26 18 19 1 27 7 5 ar 28 7 8 ar 29 14 13 1 30 26 49 1 31 26 48 1 32 26 25 1 33 5 24 ar 34 9 8 1 35 16 17 1 36 16 40 1 37 8 10 ar 38 24 25 1 39 24 11 ar 40 19 22 2 41 19 21 2 42 17 42 1 43 17 43 1 44 10 11 ar 45 10 36 1 46 11 12 1 47 13 39 1 48 13 12 1 49 13 38 1 50 37 12 1