@MOLECULE ({4-[(e)-(2-chloro-4-nitrophenyl)diazenyl]-3-(propionylamino)phenyl}imino)di-2,1-ethanediyl diacetate 62 63 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 3.6507 -1.3217 1.2523 Cl 1 UNL11 0.0119 2 O -5.7491 2.6841 0.8766 O.3 1 UNL11 -0.4303 3 O -2.9451 -3.0788 -1.2636 O.3 1 UNL11 -0.4473 4 O 0.9450 -2.2482 2.9321 O.2 1 UNL11 -0.4655 5 O -6.5787 4.5491 1.6121 O.2 1 UNL11 -0.4375 6 O -0.8212 -3.3494 -1.5446 O.2 1 UNL11 -0.4543 7 O 7.9144 2.5462 -1.0685 O.2 1 UNL11 -0.3949 8 O 8.2698 0.8050 0.1464 O.2 1 UNL11 -0.3874 9 N -4.3501 -0.3352 -0.5570 N.pl3 1 UNL11 -0.4486 10 N 0.1184 -0.8148 1.4605 N.am 1 UNL11 -0.5826 11 N 1.1692 0.7598 -0.8717 N.2 1 UNL11 -0.0938 12 N 1.9797 0.6956 0.0790 N.2 1 UNL11 -0.2241 13 N 7.5271 1.5817 -0.4296 N.pl3 1 UNL11 0.6224 14 C -5.0563 0.5154 0.4331 C.3 1 UNL11 -0.1228 15 C -4.7024 -1.7667 -0.3964 C.3 1 UNL11 -0.1279 16 C -2.9257 -0.1016 -0.5202 C.ar 1 UNL11 0.2481 17 C -4.8020 1.9940 0.0736 C.3 1 UNL11 -0.0324 18 C -4.2096 -2.5485 -1.6278 C.3 1 UNL11 -0.0254 19 C -2.0975 -0.5802 0.4868 C.ar 1 UNL11 -0.3426 20 C -2.4049 0.6644 -1.5794 C.ar 1 UNL11 -0.2893 21 C -0.7099 -0.3371 0.4537 C.ar 1 UNL11 0.3017 22 C -0.1875 0.4541 -0.6114 C.ar 1 UNL11 -0.0911 23 C -1.0515 0.9351 -1.6141 C.ar 1 UNL11 -0.0339 24 C 0.0699 -2.0760 2.1163 C.2 1 UNL11 0.6078 25 C -0.9806 -3.0854 1.7645 C.3 1 UNL11 -0.3469 26 C -5.7208 4.0503 0.9340 C.2 1 UNL11 0.6157 27 C -1.8346 -2.9339 -2.0449 C.2 1 UNL11 0.6274 28 C -0.4753 -4.4855 2.1082 C.3 1 UNL11 -0.4044 29 C -4.6638 4.7876 0.1828 C.3 1 UNL11 -0.5506 30 C -1.9388 -2.3181 -3.3960 C.3 1 UNL11 -0.5516 31 C 3.3589 0.9254 -0.1829 C.ar 1 UNL11 0.1324 32 C 4.2546 0.0280 0.4218 C.ar 1 UNL11 -0.0326 33 C 3.8469 2.0313 -0.8872 C.ar 1 UNL11 -0.1702 34 C 5.6243 0.2265 0.3475 C.ar 1 UNL11 -0.0979 35 C 5.2188 2.2461 -0.9674 C.ar 1 UNL11 -0.0847 36 C 6.0908 1.3466 -0.3486 C.ar 1 UNL11 -0.0706 37 H 0.9890 -0.2832 1.6252 H 1 UNL11 0.3552 38 H -4.7508 0.3185 1.4832 H 1 UNL11 0.1430 39 H -6.1496 0.3082 0.3670 H 1 UNL11 0.1651 40 H -5.8113 -1.8459 -0.3327 H 1 UNL11 0.1540 41 H -4.2887 -2.2266 0.5294 H 1 UNL11 0.1498 42 H -3.7760 2.3080 0.3308 H 1 UNL11 0.1335 43 H -5.0126 2.1942 -0.9916 H 1 UNL11 0.1376 44 H -4.8383 -3.4371 -1.8246 H 1 UNL11 0.1390 45 H -4.1768 -1.9107 -2.5256 H 1 UNL11 0.1444 46 H -2.5264 -1.1239 1.3265 H 1 UNL11 0.1829 47 H -3.0741 1.0337 -2.3533 H 1 UNL11 0.1747 48 H -0.6276 1.5290 -2.4307 H 1 UNL11 0.1712 49 H -1.2403 -3.0478 0.6787 H 1 UNL11 0.1969 50 H -1.9169 -2.8713 2.3184 H 1 UNL11 0.1624 51 H 0.4132 -4.7431 1.5146 H 1 UNL11 0.1598 52 H -1.2389 -5.2427 1.8996 H 1 UNL11 0.1438 53 H -0.1914 -4.5634 3.1662 H 1 UNL11 0.1589 54 H -4.6799 4.5639 -0.8923 H 1 UNL11 0.1775 55 H -3.6563 4.5632 0.5644 H 1 UNL11 0.1846 56 H -4.8079 5.8778 0.2877 H 1 UNL11 0.1927 57 H -2.6638 -2.8326 -4.0401 H 1 UNL11 0.1786 58 H -0.9607 -2.3594 -3.9101 H 1 UNL11 0.1979 59 H -2.2175 -1.2529 -3.3380 H 1 UNL11 0.1889 60 H 3.1484 2.7173 -1.3695 H 1 UNL11 0.1811 61 H 6.3304 -0.4693 0.8209 H 1 UNL11 0.2086 62 H 5.6143 3.1113 -1.5119 H 1 UNL11 0.1918 @BOND 1 57 30 1 2 58 30 1 3 30 59 1 4 30 27 1 5 45 18 1 6 48 23 1 7 47 20 1 8 27 6 2 9 27 3 1 10 44 18 1 11 18 3 1 12 18 15 1 13 23 20 ar 14 23 22 ar 15 20 16 ar 16 62 35 1 17 60 33 1 18 7 13 2 19 43 17 1 20 35 33 ar 21 35 36 ar 22 54 29 1 23 33 31 ar 24 11 22 1 25 11 12 2 26 22 21 ar 27 9 16 1 28 9 15 1 29 9 14 1 30 16 19 ar 31 13 36 1 32 13 8 2 33 15 40 1 34 15 41 1 35 36 34 ar 36 31 12 1 37 31 32 ar 38 17 42 1 39 17 14 1 40 17 2 1 41 29 56 1 42 29 55 1 43 29 26 1 44 34 32 ar 45 34 61 1 46 39 14 1 47 32 1 1 48 14 38 1 49 21 19 ar 50 21 10 1 51 19 46 1 52 49 25 1 53 2 26 1 54 26 5 2 55 10 37 1 56 10 24 am 57 51 28 1 58 25 28 1 59 25 24 1 60 25 50 1 61 52 28 1 62 28 53 1 63 24 4 2