@MOLECULE n-[(1s,4r,5r,7s)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]non-7-yl]-2-methyl-2-phenylpropanamide 80 84 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.0176 1.9225 -0.0200 C.3 1 UNL1 0.0420 2 C 0.2483 1.3992 -1.7247 C.3 1 UNL1 0.0717 3 C 0.9055 2.2861 1.0024 C.3 1 UNL1 -0.1004 4 C 1.2852 -0.5229 -0.4124 C.3 1 UNL1 0.1082 5 C 3.8848 3.5721 -0.5701 C.ar 1 UNL1 -0.3408 6 C 3.8621 2.5062 1.5914 C.ar 1 UNL1 -0.2556 7 C 5.0294 3.1769 1.9520 C.ar 1 UNL1 -0.0650 8 C 5.6464 4.0538 1.0673 C.ar 1 UNL1 -0.2699 9 C -0.5728 -5.1129 -0.5049 C.ar 1 UNL1 -0.1440 10 C 0.8872 -6.5693 0.7427 C.ar 1 UNL1 -0.1665 11 C -6.3904 2.8593 -0.8015 C.ar 1 UNL1 -0.1816 12 C -6.1974 1.2036 0.9467 C.ar 1 UNL1 -0.1798 13 C -1.5977 -6.0487 -0.4003 C.ar 1 UNL1 -0.1429 14 C -0.1397 -7.5066 0.8451 C.ar 1 UNL1 -0.1463 15 C -7.4677 3.4366 -0.1331 C.ar 1 UNL1 -0.1368 16 C -7.2736 1.7840 1.6133 C.ar 1 UNL1 -0.1365 17 C -1.3840 -7.2485 0.2763 C.ar 1 UNL1 -0.1549 18 C -7.9114 2.9002 1.0743 C.ar 1 UNL1 -0.1684 19 C -2.0737 1.0176 -1.0712 C.3 1 UNL1 -0.1123 20 C -3.2826 1.7678 -0.4828 C.3 1 UNL1 -0.2661 21 C -4.5866 1.1211 -0.9731 C.3 1 UNL1 -0.2943 22 C 0.7541 3.8065 1.1465 C.3 1 UNL1 -0.4512 23 C 2.8686 -4.4597 0.9954 C.3 1 UNL1 -0.4519 24 C 2.3958 -4.5545 -1.4779 C.3 1 UNL1 -0.4554 25 H 2.6090 -2.0200 -1.1514 H 1 UNL1 0.3089 26 H 5.2317 5.2086 -1.8743 H 1 UNL1 0.3262 27 C 3.2811 2.6943 0.3301 C.ar 1 UNL1 0.0778 28 C 5.0521 4.2344 -0.1833 C.ar 1 UNL1 0.3057 29 C 0.6767 -5.3635 0.0728 C.ar 1 UNL1 0.0020 30 C -5.7528 1.7391 -0.2646 C.ar 1 UNL1 0.0236 31 O 0.2253 -2.7263 0.8004 O.2 1 UNL1 -0.5377 32 O 5.6915 5.1060 -1.0077 O.3 1 UNL1 -0.4782 33 C 1.1915 -2.9356 0.0948 C.2 1 UNL1 0.5678 34 N 1.8220 -1.8872 -0.5445 N.am 1 UNL1 -0.6282 35 C 1.7853 -4.3448 -0.0849 C.3 1 UNL1 0.0027 36 C 1.4975 2.2479 -1.4272 C.3 1 UNL1 -0.3073 37 C 2.4160 0.4249 0.0273 C.3 1 UNL1 -0.3288 38 C 0.6542 -0.0931 -1.7476 C.3 1 UNL1 -0.3717 39 C -0.4736 1.6827 0.6427 C.3 1 UNL1 -0.1216 40 N -0.8298 1.7815 -0.7912 N.3 1 UNL1 -0.4451 41 H -0.1278 1.6713 -2.7503 H 1 UNL1 0.1320 42 H 1.2340 3.3218 -1.5003 H 1 UNL1 0.1604 43 H 2.2687 2.0509 -2.1919 H 1 UNL1 0.1383 44 H 1.1995 1.8668 1.9965 H 1 UNL1 0.1353 45 H 3.3046 0.2787 -0.6170 H 1 UNL1 0.1475 46 H 2.7371 0.1469 1.0496 H 1 UNL1 0.1546 47 H 0.4876 -0.5442 0.3875 H 1 UNL1 0.1778 48 H -0.2228 -0.7289 -1.9652 H 1 UNL1 0.1515 49 H 1.3615 -0.2607 -2.5793 H 1 UNL1 0.1444 50 H -0.5299 0.6351 1.0215 H 1 UNL1 0.1224 51 H -1.2594 2.2495 1.1982 H 1 UNL1 0.1481 52 H 0.3342 4.2481 0.2336 H 1 UNL1 0.1591 53 H 0.0770 4.0599 1.9692 H 1 UNL1 0.1433 54 H 1.7103 4.3006 1.3483 H 1 UNL1 0.1490 55 H -2.0382 -0.0199 -0.6719 H 1 UNL1 0.1251 56 H -2.1977 0.9368 -2.1731 H 1 UNL1 0.1331 57 H 3.4663 3.7546 -1.5530 H 1 UNL1 0.1641 58 H 3.3974 1.8324 2.3078 H 1 UNL1 0.1596 59 H -3.2472 1.7601 0.6221 H 1 UNL1 0.1451 60 H -3.2421 2.8347 -0.7758 H 1 UNL1 0.1567 61 H 5.4628 3.0138 2.9388 H 1 UNL1 0.1481 62 H -4.6822 1.2404 -2.0706 H 1 UNL1 0.1468 63 H -4.5587 0.0258 -0.7983 H 1 UNL1 0.1519 64 H 6.5556 4.5876 1.3240 H 1 UNL1 0.1736 65 H 2.4237 -4.4397 2.0009 H 1 UNL1 0.1668 66 H 3.4392 -5.3901 0.8995 H 1 UNL1 0.1540 67 H 3.5858 -3.6320 0.9401 H 1 UNL1 0.1532 68 H 3.3320 -4.0045 -1.6123 H 1 UNL1 0.1458 69 H 2.6269 -5.6172 -1.6396 H 1 UNL1 0.1629 70 H 1.6995 -4.2588 -2.2718 H 1 UNL1 0.1551 71 H -0.7581 -4.1733 -1.0245 H 1 UNL1 0.1579 72 H 1.8509 -6.7908 1.1955 H 1 UNL1 0.1506 73 H -6.0439 3.2837 -1.7409 H 1 UNL1 0.1514 74 H -5.7009 0.3333 1.3709 H 1 UNL1 0.1547 75 H -2.5693 -5.8387 -0.8428 H 1 UNL1 0.1487 76 H 0.0335 -8.4412 1.3740 H 1 UNL1 0.1459 77 H -7.9631 4.3088 -0.5546 H 1 UNL1 0.1462 78 H -7.6174 1.3651 2.5569 H 1 UNL1 0.1470 79 H -2.1859 -7.9776 0.3610 H 1 UNL1 0.1472 80 H -8.7522 3.3515 1.5949 H 1 UNL1 0.1479 @BOND 1 41 2 1 2 49 38 1 3 70 24 1 4 43 36 1 5 56 19 1 6 62 21 1 7 48 38 1 8 26 32 1 9 38 2 1 10 38 4 1 11 73 11 1 12 2 36 1 13 2 40 1 14 69 24 1 15 68 24 1 16 57 5 1 17 42 36 1 18 24 35 1 19 36 1 1 20 25 34 1 21 19 40 1 22 19 55 1 23 19 20 1 24 71 9 1 25 32 28 1 26 21 63 1 27 21 20 1 28 21 30 1 29 75 13 1 30 11 30 ar 31 11 15 ar 32 40 39 1 33 60 20 1 34 45 37 1 35 5 28 ar 36 5 27 ar 37 77 15 1 38 34 4 1 39 34 33 am 40 9 13 ar 41 9 29 ar 42 20 59 1 43 4 37 1 44 4 47 1 45 13 17 ar 46 30 12 ar 47 28 8 ar 48 15 18 ar 49 35 29 1 50 35 33 1 51 35 23 1 52 1 37 1 53 1 27 1 54 1 3 1 55 37 46 1 56 29 10 ar 57 33 31 2 58 52 22 1 59 17 79 1 60 17 14 ar 61 27 6 ar 62 39 3 1 63 39 50 1 64 39 51 1 65 10 14 ar 66 10 72 1 67 14 76 1 68 66 23 1 69 67 23 1 70 12 74 1 71 12 16 ar 72 23 65 1 73 3 22 1 74 3 44 1 75 8 64 1 76 8 7 ar 77 18 80 1 78 18 16 ar 79 22 54 1 80 22 53 1 81 6 7 ar 82 6 58 1 83 16 78 1 84 7 61 1