@MOLECULE 4-[3-(benzyloxy)-3-oxopropyl]phenyl trans-4-(aminomethyl)cyclohexanecarboxylate 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8016 0.3253 -0.8211 O.3 1 UNL1111111111 -0.4280 2 O 3.1931 0.6063 1.3862 O.2 1 UNL1111111111 -0.4776 3 O -5.1922 1.0624 1.3849 O.3 1 UNL1111111111 -0.4210 4 O -5.5216 2.1611 -0.5518 O.2 1 UNL1111111111 -0.5136 5 N 9.7618 -1.9454 0.2466 N.3 1 UNL1111111111 -0.6491 6 C 7.8220 -0.4166 0.4050 C.3 1 UNL1111111111 -0.1011 7 C 5.0423 0.3365 -0.1919 C.3 1 UNL1111111111 -0.1703 8 C 7.3995 1.0596 0.3066 C.3 1 UNL1111111111 -0.2832 9 C 6.9337 -1.2818 -0.5032 C.3 1 UNL1111111111 -0.2668 10 C 5.9269 1.2182 0.7015 C.3 1 UNL1111111111 -0.2624 11 C 5.4630 -1.1406 -0.1013 C.3 1 UNL1111111111 -0.2660 12 C 9.3055 -0.5584 -0.0012 C.3 1 UNL1111111111 -0.1273 13 C 3.6143 0.4460 0.2765 C.2 1 UNL1111111111 0.5948 14 C 1.4329 0.3613 -0.6877 C.ar 1 UNL1111111111 0.2347 15 C 0.7686 1.0450 -1.7081 C.ar 1 UNL1111111111 -0.2123 16 C 0.7586 -0.2993 0.3360 C.ar 1 UNL1111111111 -0.2142 17 C -1.3244 0.4199 -0.6679 C.ar 1 UNL1111111111 -0.0247 18 C -0.6217 1.0650 -1.6894 C.ar 1 UNL1111111111 -0.1308 19 C -0.6332 -0.2619 0.3373 C.ar 1 UNL1111111111 -0.1266 20 C -2.8203 0.4738 -0.6374 C.3 1 UNL1111111111 -0.2627 21 C -3.2687 1.6702 0.2176 C.3 1 UNL1111111111 -0.3363 22 C -4.7670 1.6888 0.2573 C.2 1 UNL1111111111 0.6084 23 C -6.5930 0.8057 1.5038 C.3 1 UNL1111111111 -0.0292 24 C -6.9150 -0.4200 0.7039 C.ar 1 UNL1111111111 -0.0633 25 C -7.3372 -0.2953 -0.6203 C.ar 1 UNL1111111111 -0.1332 26 C -6.7501 -1.6847 1.2695 C.ar 1 UNL1111111111 -0.1388 27 C -7.5990 -1.4355 -1.3760 C.ar 1 UNL1111111111 -0.1561 28 C -7.0130 -2.8236 0.5109 C.ar 1 UNL1111111111 -0.1591 29 C -7.4375 -2.6996 -0.8111 C.ar 1 UNL1111111111 -0.1374 30 H 7.6994 -0.7588 1.4601 H 1 UNL1111111111 0.1375 31 H 5.1260 0.6763 -1.2558 H 1 UNL1111111111 0.1743 32 H 8.0318 1.6852 0.9630 H 1 UNL1111111111 0.1358 33 H 7.5604 1.4343 -0.7212 H 1 UNL1111111111 0.1406 34 H 7.0753 -1.0001 -1.5623 H 1 UNL1111111111 0.1400 35 H 7.2555 -2.3411 -0.4358 H 1 UNL1111111111 0.1609 36 H 5.7837 0.9450 1.7671 H 1 UNL1111111111 0.1588 37 H 5.6207 2.2782 0.6212 H 1 UNL1111111111 0.1432 38 H 4.8262 -1.7620 -0.7599 H 1 UNL1111111111 0.1469 39 H 5.3112 -1.5229 0.9269 H 1 UNL1111111111 0.1493 40 H 9.4244 -0.3529 -1.0879 H 1 UNL1111111111 0.1427 41 H 9.9185 0.1944 0.5385 H 1 UNL1111111111 0.1073 42 H 9.6416 -2.2141 1.2087 H 1 UNL1111111111 0.2467 43 H 10.7267 -2.0706 -0.0097 H 1 UNL1111111111 0.2480 44 H 1.3342 1.5427 -2.4910 H 1 UNL1111111111 0.1690 45 H 1.3033 -0.8192 1.1214 H 1 UNL1111111111 0.1786 46 H -1.1638 1.5911 -2.4745 H 1 UNL1111111111 0.1573 47 H -1.1837 -0.7666 1.1310 H 1 UNL1111111111 0.1586 48 H -3.2410 0.5567 -1.6619 H 1 UNL1111111111 0.1606 49 H -3.2428 -0.4688 -0.2278 H 1 UNL1111111111 0.1602 50 H -2.8910 2.6217 -0.2130 H 1 UNL1111111111 0.1802 51 H -2.8371 1.5983 1.2390 H 1 UNL1111111111 0.1823 52 H -6.7089 0.6615 2.5957 H 1 UNL1111111111 0.1491 53 H -7.1732 1.6939 1.1884 H 1 UNL1111111111 0.1509 54 H -7.4470 0.6959 -1.0664 H 1 UNL1111111111 0.1721 55 H -6.4091 -1.7828 2.2985 H 1 UNL1111111111 0.1524 56 H -7.9268 -1.3377 -2.4092 H 1 UNL1111111111 0.1525 57 H -6.8848 -3.8102 0.9507 H 1 UNL1111111111 0.1493 58 H -7.6415 -3.5898 -1.4026 H 1 UNL1111111111 0.1485 @BOND 1 1 13 1 2 1 14 1 3 2 13 2 4 3 22 1 5 3 23 1 6 4 22 2 7 5 12 1 8 5 42 1 9 5 43 1 10 6 8 1 11 6 9 1 12 6 12 1 13 6 30 1 14 7 10 1 15 7 11 1 16 7 13 1 17 7 31 1 18 8 10 1 19 8 32 1 20 8 33 1 21 9 11 1 22 9 34 1 23 9 35 1 24 10 36 1 25 10 37 1 26 11 38 1 27 11 39 1 28 12 40 1 29 12 41 1 30 14 15 ar 31 14 16 ar 32 15 18 ar 33 15 44 1 34 16 19 ar 35 16 45 1 36 17 18 ar 37 17 19 ar 38 17 20 1 39 18 46 1 40 19 47 1 41 20 21 1 42 20 48 1 43 20 49 1 44 21 22 1 45 21 50 1 46 21 51 1 47 23 24 1 48 23 52 1 49 23 53 1 50 24 25 ar 51 24 26 ar 52 25 27 ar 53 25 54 1 54 26 28 ar 55 26 55 1 56 27 29 ar 57 27 56 1 58 28 29 ar 59 28 57 1 60 29 58 1