@MOLECULE (3's,4's)-1'-(3-iodobenzyl)-4-phenyl-1,3'-bipiperidin-4'-ol 56 59 0 0 0 SMALL USER_CHARGES @ATOM 1 I -5.4349 -1.5416 0.1712 I 1 UNL111111 -0.0226 2 O 1.6983 -0.3613 -3.0615 O.3 1 UNL111111 -0.5699 3 N 2.8721 0.0658 -0.5138 N.3 1 UNL111111 -0.4623 4 N -0.6850 1.3446 -0.1174 N.3 1 UNL111111 -0.4180 5 C 1.4309 0.2798 -0.7265 C.3 1 UNL111111 -0.0307 6 C 1.1989 0.6539 -2.2158 C.3 1 UNL111111 0.1507 7 C 0.7687 1.3611 0.1684 C.3 1 UNL111111 -0.1646 8 C 3.1379 -0.7672 0.6853 C.3 1 UNL111111 -0.0981 9 C 3.6737 1.3110 -0.4804 C.3 1 UNL111111 -0.1047 10 C 5.5197 0.0619 0.6961 C.3 1 UNL111111 -0.1163 11 C 4.6189 -1.1858 0.6895 C.3 1 UNL111111 -0.2773 12 C 5.1686 0.9427 -0.5165 C.3 1 UNL111111 -0.2752 13 C -0.3090 0.7269 -2.4778 C.3 1 UNL111111 -0.3115 14 C -0.9543 1.7424 -1.5240 C.3 1 UNL111111 -0.1148 15 C -1.4150 2.2224 0.8320 C.3 1 UNL111111 -0.1304 16 C 6.9704 -0.3312 0.6634 C.ar 1 UNL111111 -0.0044 17 C -2.8955 1.9523 0.7549 C.ar 1 UNL111111 0.0087 18 C 7.8133 0.0407 1.7128 C.ar 1 UNL111111 -0.1785 19 C 7.4876 -1.0662 -0.4066 C.ar 1 UNL111111 -0.1692 20 C 9.1596 -0.3182 1.6923 C.ar 1 UNL111111 -0.1360 21 C 8.8328 -1.4241 -0.4257 C.ar 1 UNL111111 -0.1375 22 C -3.3615 0.6502 0.5549 C.ar 1 UNL111111 -0.1529 23 C -3.8004 3.0030 0.9107 C.ar 1 UNL111111 -0.1844 24 C 9.6714 -1.0507 0.6234 C.ar 1 UNL111111 -0.1631 25 C -4.7316 0.4256 0.5010 C.ar 1 UNL111111 -0.0558 26 C -5.1709 2.7552 0.8622 C.ar 1 UNL111111 -0.1263 27 C -5.6484 1.4621 0.6541 C.ar 1 UNL111111 -0.1692 28 H 0.9069 -0.6996 -0.5406 H 1 UNL111111 0.1713 29 H 1.7170 1.5943 -2.4984 H 1 UNL111111 0.1131 30 H 0.9254 1.1006 1.2366 H 1 UNL111111 0.1419 31 H 1.2336 2.3528 -0.0015 H 1 UNL111111 0.1180 32 H 2.4981 -1.6759 0.6309 H 1 UNL111111 0.1400 33 H 2.8831 -0.2453 1.6323 H 1 UNL111111 0.1132 34 H 3.4610 1.9350 0.4134 H 1 UNL111111 0.1122 35 H 3.4226 1.9208 -1.3753 H 1 UNL111111 0.1371 36 H 5.3076 0.6450 1.6274 H 1 UNL111111 0.1402 37 H 4.8305 -1.8058 -0.2032 H 1 UNL111111 0.1553 38 H 4.8319 -1.8213 1.5668 H 1 UNL111111 0.1401 39 H 5.7867 1.8581 -0.5221 H 1 UNL111111 0.1401 40 H 5.3958 0.4076 -1.4585 H 1 UNL111111 0.1557 41 H -0.7600 -0.2769 -2.3412 H 1 UNL111111 0.1704 42 H -0.5017 0.9990 -3.5309 H 1 UNL111111 0.1557 43 H -0.5988 2.7691 -1.7534 H 1 UNL111111 0.1156 44 H -2.0582 1.7409 -1.6745 H 1 UNL111111 0.1493 45 H -1.1976 3.3019 0.6706 H 1 UNL111111 0.1279 46 H -1.0715 1.9815 1.8685 H 1 UNL111111 0.1571 47 H 2.5268 -0.7281 -2.6737 H 1 UNL111111 0.3414 48 H 7.4218 0.6124 2.5512 H 1 UNL111111 0.1493 49 H 6.8374 -1.3607 -1.2290 H 1 UNL111111 0.1557 50 H 9.8112 -0.0252 2.5129 H 1 UNL111111 0.1467 51 H 9.2302 -1.9965 -1.2616 H 1 UNL111111 0.1483 52 H -2.6290 -0.1553 0.4337 H 1 UNL111111 0.1944 53 H -3.4415 4.0179 1.0676 H 1 UNL111111 0.1564 54 H 10.7218 -1.3305 0.6074 H 1 UNL111111 0.1479 55 H -5.8751 3.5773 0.9856 H 1 UNL111111 0.1558 56 H -6.7230 1.2895 0.6148 H 1 UNL111111 0.1644 @BOND 1 42 13 1 2 2 47 1 3 2 6 1 4 29 6 1 5 13 41 1 6 13 6 1 7 13 14 1 8 6 5 1 9 43 14 1 10 44 14 1 11 14 4 1 12 40 12 1 13 35 9 1 14 51 21 1 15 49 19 1 16 5 28 1 17 5 3 1 18 5 7 1 19 39 12 1 20 12 9 1 21 12 10 1 22 3 9 1 23 3 8 1 24 9 34 1 25 21 19 ar 26 21 24 ar 27 19 16 ar 28 37 11 1 29 4 7 1 30 4 15 1 31 31 7 1 32 7 30 1 33 1 25 1 34 52 22 1 35 25 22 ar 36 25 27 ar 37 22 17 ar 38 54 24 1 39 56 27 1 40 24 20 ar 41 32 8 1 42 27 26 ar 43 16 10 1 44 16 18 ar 45 45 15 1 46 8 11 1 47 8 33 1 48 11 10 1 49 11 38 1 50 10 36 1 51 17 15 1 52 17 23 ar 53 15 46 1 54 26 23 ar 55 26 55 1 56 23 53 1 57 20 18 ar 58 20 50 1 59 18 48 1