@MOLECULE (2s)-(4-chlorophenyl)[(3s)-3-(4-chlorophenyl)-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-4h-1,4-benzodiazepin-4-yl]acetic acid 47 50 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -3.7943 -4.6734 -0.5909 Cl 1 UNL111111 -0.0795 2 C -3.6309 -2.9822 -0.7794 C.ar 1 UNL111111 0.0402 3 C -2.9448 -2.4987 -1.8869 C.ar 1 UNL111111 -0.1845 4 C -2.8008 -1.1213 -2.0224 C.ar 1 UNL111111 -0.1127 5 C -3.3355 -0.2579 -1.0593 C.ar 1 UNL111111 -0.0821 6 C -4.0310 -0.7705 0.0356 C.ar 1 UNL111111 -0.1130 7 C -4.1833 -2.1486 0.1830 C.ar 1 UNL111111 -0.1767 8 C -3.0531 1.2150 -1.2259 C.3 1 UNL111111 0.0164 9 C -4.2050 2.0802 -0.7240 C.2 1 UNL111111 0.6183 10 O -4.7352 2.0801 0.3541 O.2 1 UNL111111 -0.4925 11 O -4.6147 2.8940 -1.7200 O.3 1 UNL111111 -0.5333 12 N -1.8061 1.5933 -0.5437 N.am 1 UNL111111 -0.5044 13 C -0.6339 1.5363 -1.3063 C.2 1 UNL111111 0.6075 14 O -0.7235 1.3638 -2.5048 O.2 1 UNL111111 -0.5008 15 C 0.6772 1.6592 -0.6293 C.ar 1 UNL111111 -0.2034 16 C 1.6700 0.7921 -1.1044 C.ar 1 UNL111111 -0.0547 17 C 2.9389 0.8288 -0.5481 C.ar 1 UNL111111 -0.1281 18 I 4.3860 -0.5720 -1.1786 I 1 UNL111111 0.0160 19 C 3.2682 1.7686 0.4313 C.ar 1 UNL111111 -0.0670 20 C 2.2973 2.6450 0.8895 C.ar 1 UNL111111 -0.2420 21 C 0.9804 2.5676 0.3930 C.ar 1 UNL111111 0.2583 22 N 0.0156 3.4141 0.9680 N.am 1 UNL111111 -0.5659 23 C -1.2800 3.0166 1.3032 C.2 1 UNL111111 0.5598 24 O -1.9822 3.8025 1.8918 O.2 1 UNL111111 -0.4647 25 C -1.7622 1.6024 0.9158 C.3 1 UNL111111 0.0025 26 C -0.9170 0.5253 1.5567 C.ar 1 UNL111111 -0.0616 27 C -0.4052 0.7423 2.8394 C.ar 1 UNL111111 -0.1362 28 C 0.4195 -0.2078 3.4360 C.ar 1 UNL111111 -0.1604 29 C 0.6990 -1.3744 2.7357 C.ar 1 UNL111111 0.0315 30 CL 1.7502 -2.5244 3.4376 Cl 1 UNL111111 -0.0784 31 C 0.1590 -1.6422 1.4854 C.ar 1 UNL111111 -0.1660 32 C -0.6597 -0.6796 0.9006 C.ar 1 UNL111111 -0.1313 33 H -2.5250 -3.1741 -2.6321 H 1 UNL111111 0.1752 34 H -2.2531 -0.7138 -2.8782 H 1 UNL111111 0.1801 35 H -4.4607 -0.1057 0.7916 H 1 UNL111111 0.1847 36 H -4.7202 -2.5528 1.0418 H 1 UNL111111 0.1772 37 H -2.9157 1.4511 -2.3389 H 1 UNL111111 0.2279 38 H -5.3535 3.5041 -1.4599 H 1 UNL111111 0.3609 39 H 1.4138 0.0984 -1.9152 H 1 UNL111111 0.1867 40 H 4.2756 1.8219 0.8524 H 1 UNL111111 0.1703 41 H 2.5451 3.3753 1.6594 H 1 UNL111111 0.1752 42 H 0.3220 4.3329 1.2902 H 1 UNL111111 0.3342 43 H -2.8174 1.4930 1.3336 H 1 UNL111111 0.2222 44 H -0.6429 1.6593 3.3826 H 1 UNL111111 0.1693 45 H 0.8347 -0.0312 4.4284 H 1 UNL111111 0.1745 46 H 0.3680 -2.5773 0.9646 H 1 UNL111111 0.1771 47 H -1.0921 -0.8799 -0.0822 H 1 UNL111111 0.1733 @BOND 1 34 4 1 2 33 3 1 3 14 13 2 4 37 8 1 5 4 3 ar 6 4 5 ar 7 39 16 1 8 3 2 ar 9 11 38 1 10 11 9 1 11 13 15 1 12 13 12 am 13 8 5 1 14 8 9 1 15 8 12 1 16 18 17 1 17 16 15 ar 18 16 17 ar 19 5 6 ar 20 2 1 1 21 2 7 ar 22 9 10 2 23 15 21 ar 24 17 19 ar 25 12 25 1 26 47 32 1 27 6 7 ar 28 6 35 1 29 7 36 1 30 21 20 ar 31 21 22 1 32 19 40 1 33 19 20 ar 34 20 41 1 35 32 31 ar 36 32 26 ar 37 25 23 1 38 25 43 1 39 25 26 1 40 46 31 1 41 22 42 1 42 22 23 am 43 23 24 2 44 31 29 ar 45 26 27 ar 46 29 28 ar 47 29 30 1 48 27 44 1 49 27 28 ar 50 28 45 1