@MOLECULE 1'-benzyl-4-(~125~i)iodo-3-phenyl-3,4'-bipiperidine-2,6-dione 53 56 0 0 0 SMALL USER_CHARGES @ATOM 1 I 2.2046 2.3120 0.3833 I 1 UNL111111 -0.0389 2 O 1.9508 -0.5883 -2.5793 O.2 1 UNL111111 -0.4679 3 O 5.3537 -0.7907 0.3345 O.2 1 UNL111111 -0.4653 4 N -3.0029 -0.0977 -1.1263 N.3 1 UNL111111 -0.4213 5 N 3.6270 -0.6836 -1.1030 N.am 1 UNL111111 -0.6385 6 C -0.0995 -0.0540 -0.7584 C.3 1 UNL111111 -0.0910 7 C 1.2595 -0.6223 -0.2439 C.3 1 UNL111111 -0.0772 8 C -1.0845 0.2629 0.3782 C.3 1 UNL111111 -0.2929 9 C -0.8063 -1.0389 -1.7098 C.3 1 UNL111111 -0.2926 10 C 1.8862 0.2042 0.9038 C.3 1 UNL111111 -0.1349 11 C -2.3717 0.8779 -0.2056 C.3 1 UNL111111 -0.1071 12 C -2.0972 -0.4067 -2.2598 C.3 1 UNL111111 -0.1033 13 C 1.0560 -2.0530 0.2219 C.ar 1 UNL111111 -0.0115 14 C 2.2573 -0.6169 -1.4126 C.2 1 UNL111111 0.5769 15 C 3.2054 -0.4269 1.3355 C.3 1 UNL111111 -0.3890 16 C -4.3103 0.4071 -1.6178 C.3 1 UNL111111 -0.1365 17 C 4.1642 -0.6446 0.1958 C.2 1 UNL111111 0.6036 18 C 1.3376 -3.1244 -0.6307 C.ar 1 UNL111111 -0.1647 19 C 0.5531 -2.3166 1.4993 C.ar 1 UNL111111 -0.1737 20 C -5.3177 0.3882 -0.4972 C.ar 1 UNL111111 -0.0061 21 C 1.1384 -4.4356 -0.2051 C.ar 1 UNL111111 -0.1248 22 C 0.3534 -3.6281 1.9232 C.ar 1 UNL111111 -0.1299 23 C 0.6501 -4.6915 1.0740 C.ar 1 UNL111111 -0.1502 24 C -5.4006 -0.7226 0.3458 C.ar 1 UNL111111 -0.1420 25 C -6.1843 1.4664 -0.3172 C.ar 1 UNL111111 -0.1826 26 C -6.3461 -0.7528 1.3666 C.ar 1 UNL111111 -0.1491 27 C -7.1323 1.4317 0.7041 C.ar 1 UNL111111 -0.1421 28 C -7.2140 0.3243 1.5458 C.ar 1 UNL111111 -0.1597 29 H 0.1100 0.8811 -1.3360 H 1 UNL111111 0.1571 30 H -1.3501 -0.6678 0.9199 H 1 UNL111111 0.1601 31 H -0.6636 0.9595 1.1195 H 1 UNL111111 0.1315 32 H -0.1491 -1.3207 -2.5535 H 1 UNL111111 0.1622 33 H -1.0599 -1.9768 -1.1771 H 1 UNL111111 0.1598 34 H 1.1864 0.2566 1.7671 H 1 UNL111111 0.1698 35 H -3.0894 1.0855 0.6200 H 1 UNL111111 0.1443 36 H -2.1462 1.8498 -0.6935 H 1 UNL111111 0.1168 37 H -1.8554 0.4841 -2.8772 H 1 UNL111111 0.1173 38 H -2.6087 -1.1398 -2.9219 H 1 UNL111111 0.1377 39 H 3.0117 -1.4177 1.8195 H 1 UNL111111 0.2002 40 H 3.7149 0.1593 2.1344 H 1 UNL111111 0.1974 41 H -4.6698 -0.2779 -2.4242 H 1 UNL111111 0.1545 42 H -4.2351 1.4182 -2.0753 H 1 UNL111111 0.1239 43 H 4.2859 -0.7330 -1.8873 H 1 UNL111111 0.3419 44 H 1.7039 -2.9542 -1.6448 H 1 UNL111111 0.1684 45 H 0.2992 -1.5030 2.1769 H 1 UNL111111 0.1518 46 H 1.3639 -5.2622 -0.8781 H 1 UNL111111 0.1547 47 H -0.0392 -3.8205 2.9202 H 1 UNL111111 0.1499 48 H 0.4976 -5.7162 1.4065 H 1 UNL111111 0.1509 49 H -4.7094 -1.5554 0.2021 H 1 UNL111111 0.1728 50 H -6.1248 2.3344 -0.9695 H 1 UNL111111 0.1493 51 H -6.4079 -1.6176 2.0236 H 1 UNL111111 0.1473 52 H -7.8094 2.2717 0.8421 H 1 UNL111111 0.1467 53 H -7.9547 0.2989 2.3410 H 1 UNL111111 0.1460 @BOND 1 38 12 1 2 37 12 1 3 2 14 2 4 32 9 1 5 41 16 1 6 12 9 1 7 12 4 1 8 42 16 1 9 43 5 1 10 9 33 1 11 9 6 1 12 44 18 1 13 16 4 1 14 16 20 1 15 14 5 am 16 14 7 1 17 29 6 1 18 4 11 1 19 5 17 am 20 50 25 1 21 46 21 1 22 6 7 1 23 6 8 1 24 36 11 1 25 18 21 ar 26 18 13 ar 27 20 25 ar 28 20 24 ar 29 25 27 ar 30 7 13 1 31 7 10 1 32 11 8 1 33 11 35 1 34 21 23 ar 35 17 3 2 36 17 15 1 37 49 24 1 38 13 19 ar 39 24 26 ar 40 8 30 1 41 8 31 1 42 1 10 1 43 27 52 1 44 27 28 ar 45 10 15 1 46 10 34 1 47 23 48 1 48 23 22 ar 49 15 39 1 50 15 40 1 51 26 28 ar 52 26 51 1 53 19 22 ar 54 19 45 1 55 28 53 1 56 22 47 1