@MOLECULE 1'-{2-[(1-ethoxy-1-oxo-4-phenyl-2-butanyl)amino]propanoyl}spiro[bicyclo[2.2.2]octane-2,3'-pyrrolidine]-5'-carboxylic acid 72 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.9924 3.5153 1.6808 O.3 1 UNK1 -0.5367 2 O 0.4799 3.2561 -0.5081 O.2 1 UNK1 -0.6036 3 O 3.8610 2.4464 2.1272 O.2 1 UNK1 -0.4706 4 O -0.5945 -1.8235 0.0512 O.3 0 UNK0 -0.4501 5 O -2.1449 -1.5796 1.6673 O.2 0 UNK0 -0.5006 6 N 1.9130 1.5310 -0.5759 N.am 1 UNK1 -0.4798 7 N -1.3081 0.9447 -0.1875 N.3 1 UNK1 -0.5551 8 C 3.7597 -0.0223 -0.3829 C.3 1 UNK1 0.0632 9 C 4.5293 -0.9332 -1.3671 C.3 1 UNK1 -0.1133 10 C 3.8741 -0.6056 1.0409 C.3 1 UNK1 -0.3056 11 C 4.7761 -1.8510 1.0321 C.3 1 UNK1 -0.0825 12 C 4.2903 1.4335 -0.4457 C.3 1 UNK1 -0.3124 13 C 3.9679 -2.3674 -1.2963 C.3 1 UNK1 -0.2778 14 C 6.0198 -0.9775 -0.9742 C.3 1 UNK1 -0.2727 15 C 2.2706 0.1213 -0.8112 C.3 1 UNK1 -0.1023 16 C 4.1476 -2.9274 0.1272 C.3 1 UNK1 -0.2779 17 C 6.1610 -1.4654 0.4796 C.3 1 UNK1 -0.2750 18 C 3.0753 2.3345 -0.1711 C.3 1 UNK1 -0.0241 19 C 0.6815 2.0768 -0.7845 C.2 1 UNK1 0.5838 20 C 3.0180 2.7316 1.3195 C.2 1 UNK1 0.6120 21 C -0.4523 1.2083 -1.3540 C.3 1 UNK1 0.0164 22 C -1.1312 1.9918 -2.4805 C.3 1 UNK1 -0.4887 23 C -2.2256 -0.1925 -0.3650 C.3 0 UNK0 -0.0060 24 C -3.6716 0.1723 0.0025 C.3 0 UNK0 -0.2925 25 C -1.6921 -1.2546 0.6045 C.2 0 UNK0 0.6060 26 C -4.6316 -0.9905 -0.2823 C.3 0 UNK0 -0.2913 27 C -6.0425 -0.5308 -0.0707 C.ar 0 UNK0 0.0176 28 C 0.1043 -2.8105 0.8201 C.3 0 UNK0 0.0063 29 C -6.8520 -0.2153 -1.1634 C.ar 0 UNK0 -0.1807 30 C -6.5445 -0.4016 1.2267 C.ar 0 UNK0 -0.1698 31 C 0.4926 -3.8923 -0.1754 C.3 0 UNK0 -0.4681 32 C -8.1576 0.2268 -0.9586 C.ar 0 UNK0 -0.1396 33 C -7.8496 0.0403 1.4274 C.ar 0 UNK0 -0.1358 34 C -8.6584 0.3532 0.3355 C.ar 0 UNK0 -0.1628 35 H 1.2914 3.6150 0.9587 H 1 UNK1 0.3879 36 H -1.7727 1.7892 0.1485 H 1 UNK1 0.2958 37 H 4.4298 -0.5439 -2.4034 H 1 UNK1 0.1252 38 H 2.8812 -0.8599 1.4518 H 1 UNK1 0.1445 39 H 4.2809 0.1496 1.7447 H 1 UNK1 0.1724 40 H 4.8818 -2.2448 2.0667 H 1 UNK1 0.1292 41 H 4.7207 1.6552 -1.4369 H 1 UNK1 0.1486 42 H 5.1037 1.5976 0.2862 H 1 UNK1 0.1820 43 H 4.4891 -3.0080 -2.0289 H 1 UNK1 0.1323 44 H 2.9046 -2.3815 -1.5884 H 1 UNK1 0.1284 45 H 6.4835 0.0159 -1.0963 H 1 UNK1 0.1336 46 H 6.5646 -1.6492 -1.6603 H 1 UNK1 0.1321 47 H 2.1396 -0.1279 -1.8853 H 1 UNK1 0.1350 48 H 1.6000 -0.5470 -0.2253 H 1 UNK1 0.1680 49 H 3.1776 -3.2518 0.5415 H 1 UNK1 0.1319 50 H 4.7887 -3.8254 0.1097 H 1 UNK1 0.1327 51 H 6.8470 -2.3270 0.5343 H 1 UNK1 0.1307 52 H 6.6098 -0.6765 1.1096 H 1 UNK1 0.1406 53 H 3.1135 3.2813 -0.7740 H 1 UNK1 0.1720 54 H -0.0670 0.2320 -1.7482 H 1 UNK1 0.1595 55 H -1.4315 2.9976 -2.1459 H 1 UNK1 0.1793 56 H -2.0288 1.4801 -2.8431 H 1 UNK1 0.1544 57 H -0.4599 2.1342 -3.3347 H 1 UNK1 0.1564 58 H -2.1928 -0.6094 -1.4062 H 0 UNK0 0.1561 59 H -3.9900 1.0690 -0.5655 H 0 UNK0 0.1546 60 H -3.7343 0.4509 1.0774 H 0 UNK0 0.1755 61 H -4.3996 -1.8469 0.3893 H 0 UNK0 0.1683 62 H -4.4875 -1.3751 -1.3104 H 0 UNK0 0.1438 63 H -0.5297 -3.1986 1.6388 H 0 UNK0 0.1483 64 H 0.9749 -2.2829 1.2505 H 0 UNK0 0.1323 65 H -6.4677 -0.3143 -2.1755 H 0 UNK0 0.1479 66 H -5.9139 -0.6472 2.0805 H 0 UNK0 0.1613 67 H -0.3940 -4.3811 -0.5989 H 0 UNK0 0.1562 68 H 1.1060 -4.6666 0.2992 H 0 UNK0 0.1522 69 H 1.0613 -3.4780 -1.0178 H 0 UNK0 0.1551 70 H -8.7869 0.4734 -1.8111 H 0 UNK0 0.1466 71 H -8.2390 0.1416 2.4387 H 0 UNK0 0.1502 72 H -9.6783 0.6964 0.4934 H 0 UNK0 0.1494 @BOND 1 57 22 1 2 56 22 1 3 22 55 1 4 22 21 1 5 37 9 1 6 65 29 1 7 43 13 1 8 47 15 1 9 70 32 1 10 54 21 1 11 46 14 1 12 44 13 1 13 41 12 1 14 58 23 1 15 9 13 1 16 9 14 1 17 9 8 1 18 21 19 1 19 21 7 1 20 62 26 1 21 13 16 1 22 29 32 ar 23 29 27 ar 24 45 14 1 25 69 31 1 26 14 17 1 27 32 34 ar 28 15 6 1 29 15 8 1 30 15 48 1 31 19 6 am 32 19 2 2 33 53 18 1 34 67 31 1 35 6 18 1 36 59 24 1 37 12 8 1 38 12 18 1 39 12 42 1 40 8 10 1 41 23 7 1 42 23 24 1 43 23 25 1 44 26 27 1 45 26 24 1 46 26 61 1 47 7 36 1 48 31 68 1 49 31 28 1 50 18 20 1 51 27 30 ar 52 24 60 1 53 4 25 1 54 4 28 1 55 50 16 1 56 16 49 1 57 16 11 1 58 34 72 1 59 34 33 ar 60 17 51 1 61 17 11 1 62 17 52 1 63 25 5 2 64 28 64 1 65 28 63 1 66 35 1 1 67 11 10 1 68 11 40 1 69 10 38 1 70 10 39 1 71 30 33 ar 72 30 66 1 73 20 1 1 74 20 3 2 75 33 71 1