@MOLECULE 4-[({4-[bis(2-chloropropyl)amino]phenyl}acetyl)amino]benzoic acid 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.4006 -2.8691 -1.8997 Cl 1 UNL1111111111 -0.2002 2 CL -3.6706 4.1176 0.2702 Cl 1 UNL1111111111 -0.1957 3 O 2.8510 -0.0329 3.0393 O.2 1 UNL1111111111 -0.4913 4 O 8.0160 1.3882 -1.1082 O.3 1 UNL1111111111 -0.5617 5 O 7.6325 0.0304 -2.8287 O.2 1 UNL1111111111 -0.5190 6 N -3.5438 0.1852 -0.1453 N.pl3 1 UNL1111111111 -0.4747 7 N 2.6581 -1.1907 1.0734 N.am 1 UNL1111111111 -0.5744 8 C -4.1308 -0.6312 -1.2034 C.3 1 UNL1111111111 -0.0916 9 C -4.1443 1.4968 0.0817 C.3 1 UNL1111111111 -0.0927 10 C -2.4277 -0.2309 0.5641 C.ar 1 UNL1111111111 0.2774 11 C -5.0763 -1.6841 -0.5906 C.3 1 UNL1111111111 -0.0082 12 C -3.3263 2.5986 -0.6203 C.3 1 UNL1111111111 -0.0137 13 C -1.8719 -1.5112 0.3508 C.ar 1 UNL1111111111 -0.3049 14 C -1.8335 0.6149 1.5287 C.ar 1 UNL1111111111 -0.2994 15 C -0.1936 -1.0896 2.0419 C.ar 1 UNL1111111111 -0.1098 16 C -0.7729 -1.9274 1.0897 C.ar 1 UNL1111111111 -0.0775 17 C -0.7333 0.1826 2.2507 C.ar 1 UNL1111111111 -0.0559 18 C -6.4008 -1.1215 -0.1341 C.3 1 UNL1111111111 -0.4694 19 C -3.7106 2.8103 -2.0646 C.3 1 UNL1111111111 -0.4711 20 C 0.9886 -1.5312 2.8393 C.3 1 UNL1111111111 -0.3600 21 C 2.2430 -0.8230 2.3599 C.2 1 UNL1111111111 0.6022 22 C 3.8077 -0.7212 0.4150 C.ar 1 UNL1111111111 0.2869 23 C 4.1003 -1.2997 -0.8398 C.ar 1 UNL1111111111 -0.3027 24 C 4.6546 0.2622 0.9489 C.ar 1 UNL1111111111 -0.2671 25 C 6.0847 0.0662 -0.9897 C.ar 1 UNL1111111111 -0.2186 26 C 5.2350 -0.9061 -1.5304 C.ar 1 UNL1111111111 -0.0137 27 C 5.7874 0.6492 0.2448 C.ar 1 UNL1111111111 -0.0075 28 C 7.2738 0.4433 -1.7535 C.2 1 UNL1111111111 0.6558 29 H -3.3255 -1.1205 -1.8039 H 1 UNL1111111111 0.1632 30 H -4.6825 0.0140 -1.9267 H 1 UNL1111111111 0.1587 31 H -4.2165 1.6870 1.1826 H 1 UNL1111111111 0.1670 32 H -5.1985 1.5017 -0.2815 H 1 UNL1111111111 0.1581 33 H -4.5726 -2.2651 0.2128 H 1 UNL1111111111 0.1634 34 H -2.2317 2.4335 -0.5017 H 1 UNL1111111111 0.1688 35 H -2.2961 -2.1886 -0.3836 H 1 UNL1111111111 0.1617 36 H -2.2276 1.6087 1.7216 H 1 UNL1111111111 0.1674 37 H -0.3700 -2.9271 0.9228 H 1 UNL1111111111 0.1456 38 H -0.2795 0.8476 2.9901 H 1 UNL1111111111 0.1624 39 H -6.9342 -0.5870 -0.9318 H 1 UNL1111111111 0.1623 40 H -6.2621 -0.4191 0.7017 H 1 UNL1111111111 0.1654 41 H -7.0784 -1.9098 0.2270 H 1 UNL1111111111 0.1695 42 H -4.7772 3.0406 -2.1925 H 1 UNL1111111111 0.1626 43 H -3.4897 1.9176 -2.6673 H 1 UNL1111111111 0.1623 44 H -3.1512 3.6428 -2.5199 H 1 UNL1111111111 0.1714 45 H 1.1261 -2.6318 2.8131 H 1 UNL1111111111 0.1724 46 H 0.8419 -1.2928 3.9204 H 1 UNL1111111111 0.1924 47 H 2.0530 -1.8135 0.5414 H 1 UNL1111111111 0.3177 48 H 3.4448 -2.0549 -1.2638 H 1 UNL1111111111 0.1614 49 H 4.4364 0.7291 1.9125 H 1 UNL1111111111 0.2043 50 H 5.4750 -1.3527 -2.5007 H 1 UNL1111111111 0.1712 51 H 6.4506 1.4150 0.6606 H 1 UNL1111111111 0.1749 52 H 8.8192 1.6594 -1.6182 H 1 UNL1111111111 0.3544 @BOND 1 1 11 1 2 2 12 1 3 3 21 2 4 4 28 1 5 4 52 1 6 5 28 2 7 6 8 1 8 6 9 1 9 6 10 1 10 7 21 am 11 7 22 1 12 7 47 1 13 8 11 1 14 8 29 1 15 8 30 1 16 9 12 1 17 9 31 1 18 9 32 1 19 10 13 ar 20 10 14 ar 21 11 18 1 22 11 33 1 23 12 19 1 24 12 34 1 25 13 16 ar 26 13 35 1 27 14 17 ar 28 14 36 1 29 15 16 ar 30 15 17 ar 31 15 20 1 32 16 37 1 33 17 38 1 34 18 39 1 35 18 40 1 36 18 41 1 37 19 42 1 38 19 43 1 39 19 44 1 40 20 21 1 41 20 45 1 42 20 46 1 43 22 23 ar 44 22 24 ar 45 23 26 ar 46 23 48 1 47 24 27 ar 48 24 49 1 49 25 26 ar 50 25 27 ar 51 25 28 1 52 26 50 1 53 27 51 1