@MOLECULE amenamevir 60 63 0 0 0 SMALL GASTEIGER @ATOM 1 S 5.9910 1.7545 0.7264 S.O2 1 UNL1111111111 2.2137 2 O 6.4456 1.7880 2.1029 O.2 1 UNL1111111111 -0.9291 3 O 6.7997 2.3394 -0.3198 O.2 1 UNL1111111111 -0.9072 4 O 2.2675 0.5989 -2.5639 O.2 1 UNL1111111111 -0.5067 5 O -0.8945 0.7168 -1.4903 O.2 1 UNL1111111111 -0.4709 6 O -8.9798 1.0040 1.2890 O.2 1 UNL1111111111 -0.0016 7 N 1.4604 -0.9335 -1.1338 N.am 1 UNL1111111111 -0.5014 8 N -2.0205 -1.2585 -1.3503 N.am 1 UNL1111111111 -0.5822 9 N -7.3880 2.1319 0.2228 N.ar 1 UNL1111111111 -0.4197 10 N -7.9588 0.1166 1.0578 N.ar 1 UNL1111111111 -0.2632 11 C 3.3579 0.5141 -0.4179 C.3 1 UNL1111111111 -0.2061 12 C 3.5082 2.0431 -0.4526 C.3 1 UNL1111111111 -0.2466 13 C 4.6839 -0.1804 -0.7683 C.3 1 UNL1111111111 -0.2530 14 C 4.3708 2.5329 0.7033 C.3 1 UNL1111111111 -0.5807 15 C 5.7200 0.0193 0.3287 C.3 1 UNL1111111111 -0.5840 16 C 2.3297 0.1064 -1.4589 C.2 1 UNL1111111111 0.5808 17 C 1.4783 -1.6219 0.1188 C.ar 1 UNL1111111111 0.0638 18 C 0.3623 -1.2595 -2.0366 C.3 1 UNL1111111111 -0.1444 19 C 2.0987 -2.8827 0.1794 C.ar 1 UNL1111111111 0.0320 20 C 0.8912 -1.0563 1.2661 C.ar 1 UNL1111111111 0.0322 21 C -0.8855 -0.4837 -1.6046 C.2 1 UNL1111111111 0.5593 22 C 2.1177 -3.5742 1.3917 C.ar 1 UNL1111111111 -0.2072 23 C 0.9263 -1.7725 2.4643 C.ar 1 UNL1111111111 -0.1983 24 C 2.7393 -3.5159 -1.0083 C.3 1 UNL1111111111 -0.4573 25 C 0.2289 0.2758 1.2569 C.3 1 UNL1111111111 -0.4686 26 C 1.5341 -3.0224 2.5272 C.ar 1 UNL1111111111 -0.1097 27 C -3.2513 -0.7122 -0.9194 C.ar 1 UNL1111111111 0.2582 28 C -4.1420 -1.5647 -0.2403 C.ar 1 UNL1111111111 -0.2733 29 C -3.6046 0.6221 -1.1696 C.ar 1 UNL1111111111 -0.2312 30 C -5.3651 -1.0752 0.1953 C.ar 1 UNL1111111111 -0.0521 31 C -4.8288 1.1008 -0.7257 C.ar 1 UNL1111111111 -0.0444 32 C -5.7148 0.2605 -0.0405 C.ar 1 UNL1111111111 -0.1081 33 C -6.9890 0.7779 0.4156 C.ar 1 UNL1111111111 0.2431 34 C -8.5831 2.2222 0.7593 C.ar 1 UNL1111111111 0.1112 35 H 3.0298 0.2010 0.6048 H 1 UNL1111111111 0.1697 36 H 3.9217 2.3637 -1.4358 H 1 UNL1111111111 0.1758 37 H 2.5079 2.5242 -0.4104 H 1 UNL1111111111 0.1568 38 H 4.5113 -1.2673 -0.9218 H 1 UNL1111111111 0.1460 39 H 5.0591 0.1922 -1.7480 H 1 UNL1111111111 0.1708 40 H 4.4988 3.6330 0.6391 H 1 UNL1111111111 0.1841 41 H 3.8640 2.3665 1.6748 H 1 UNL1111111111 0.1780 42 H 6.6851 -0.4332 0.0227 H 1 UNL1111111111 0.1828 43 H 5.4316 -0.5294 1.2461 H 1 UNL1111111111 0.1778 44 H 0.2066 -2.3590 -2.0686 H 1 UNL1111111111 0.1570 45 H 0.6241 -0.9325 -3.0822 H 1 UNL1111111111 0.2090 46 H 2.5942 -4.5517 1.4471 H 1 UNL1111111111 0.1607 47 H 0.4705 -1.3469 3.3585 H 1 UNL1111111111 0.1667 48 H 2.1833 -4.4115 -1.3283 H 1 UNL1111111111 0.1663 49 H 2.8021 -2.8485 -1.8800 H 1 UNL1111111111 0.1694 50 H 3.7669 -3.8396 -0.7848 H 1 UNL1111111111 0.1615 51 H 0.5539 0.9255 0.4282 H 1 UNL1111111111 0.1797 52 H 0.4008 0.8348 2.1873 H 1 UNL1111111111 0.1640 53 H -0.8652 0.1745 1.1426 H 1 UNL1111111111 0.1817 54 H 1.5537 -3.5703 3.4689 H 1 UNL1111111111 0.1561 55 H -1.9488 -2.2697 -1.3583 H 1 UNL1111111111 0.3140 56 H -3.8776 -2.6017 -0.0464 H 1 UNL1111111111 0.1624 57 H -2.9314 1.2921 -1.7102 H 1 UNL1111111111 0.2011 58 H -6.0595 -1.7319 0.7274 H 1 UNL1111111111 0.1713 59 H -5.1083 2.1436 -0.9135 H 1 UNL1111111111 0.1819 60 H -9.2631 3.0468 0.8464 H 1 UNL1111111111 0.2082 @BOND 1 1 2 2 2 1 3 2 3 1 14 1 4 1 15 1 5 4 16 2 6 5 21 2 7 6 10 ar 8 6 34 ar 9 7 16 am 10 7 17 1 11 7 18 1 12 8 21 am 13 8 27 1 14 8 55 1 15 9 33 ar 16 9 34 ar 17 10 33 ar 18 11 12 1 19 11 13 1 20 11 16 1 21 11 35 1 22 12 14 1 23 12 36 1 24 12 37 1 25 13 15 1 26 13 38 1 27 13 39 1 28 14 40 1 29 14 41 1 30 15 42 1 31 15 43 1 32 17 19 ar 33 17 20 ar 34 18 21 1 35 18 44 1 36 18 45 1 37 19 22 ar 38 19 24 1 39 20 23 ar 40 20 25 1 41 22 26 ar 42 22 46 1 43 23 26 ar 44 23 47 1 45 24 48 1 46 24 49 1 47 24 50 1 48 25 51 1 49 25 52 1 50 25 53 1 51 26 54 1 52 27 28 ar 53 27 29 ar 54 28 30 ar 55 28 56 1 56 29 31 ar 57 29 57 1 58 30 32 ar 59 30 58 1 60 31 32 ar 61 31 59 1 62 32 33 1 63 34 60 1