@MOLECULE n-[(1-methyl-3-phenyl-1h-pyrazol-5-yl)carbonyl]-3-(2-naphthyl)-d-alanine 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.1601 1.4256 2.1215 C.ar 1 UNL1111111111 -0.1458 2 C -2.7460 -0.1379 1.1724 C.ar 1 UNL1111111111 0.0051 3 C -3.2266 0.8282 0.3230 C.ar 1 UNL1111111111 -0.1583 4 C -3.2357 -1.5507 1.0770 C.3 1 UNL1111111111 -0.3130 5 CA -2.6300 -2.2143 -0.1898 C.3 1 UNL1111111111 0.0390 6 C -2.8029 -3.7208 -0.0570 C.2 1 UNL1111111111 0.6087 7 N -1.2008 -1.9491 -0.3146 N.am 1 UNL1111111111 -0.5810 8 OXT -2.0938 -4.5028 0.5148 O.2 1 UNL1111111111 -0.4935 9 O -3.9475 -4.1058 -0.6689 O.3 1 UNL1111111111 -0.5547 10 C -0.7867 -0.9212 -1.1484 C.2 1 UNL1111111111 0.6141 11 C -1.7162 0.1739 2.1003 C.ar 1 UNL1111111111 -0.1656 12 O -1.5490 -0.4202 -1.9532 O.2 1 UNL1111111111 -0.5297 13 C 0.5991 -0.4754 -0.9698 C.ar 1 UNL1111111111 -0.1213 14 N 1.0206 0.7839 -1.3631 N.ar 1 UNL1111111111 0.0175 15 N 2.3081 0.9897 -1.0650 N.ar 1 UNL1111111111 -0.2492 16 C 2.7683 -0.1646 -0.4728 C.ar 1 UNL1111111111 0.0426 17 C 1.7115 -1.1112 -0.3942 C.ar 1 UNL1111111111 -0.2330 18 C 4.1433 -0.3164 -0.0340 C.ar 1 UNL1111111111 0.0049 19 C 5.1617 0.4452 -0.6185 C.ar 1 UNL1111111111 -0.1317 20 C 6.4798 0.2831 -0.2008 C.ar 1 UNL1111111111 -0.1488 21 C 6.7884 -0.6369 0.8000 C.ar 1 UNL1111111111 -0.1446 22 C 5.7752 -1.3939 1.3866 C.ar 1 UNL1111111111 -0.1512 23 C 4.4552 -1.2360 0.9738 C.ar 1 UNL1111111111 -0.1469 24 C 0.2265 1.8320 -1.9779 C.3 1 UNL1111111111 -0.2555 25 C -1.6109 2.4295 1.2211 C.ar 1 UNL1111111111 -0.0261 26 C -2.6631 2.1322 0.3275 C.ar 1 UNL1111111111 -0.0069 27 C -3.1130 3.1351 -0.5758 C.ar 1 UNL1111111111 -0.1552 28 C -2.5237 4.3724 -0.5860 C.ar 1 UNL1111111111 -0.1472 29 C -1.4612 4.6680 0.3055 C.ar 1 UNL1111111111 -0.1504 30 C -1.0157 3.7206 1.1904 C.ar 1 UNL1111111111 -0.1466 31 H -0.3588 1.6696 2.8185 H 1 UNL1111111111 0.1599 32 H -4.0182 0.6045 -0.3920 H 1 UNL1111111111 0.1645 33 H -2.9702 -2.1275 1.9862 H 1 UNL1111111111 0.1627 34 H -4.3435 -1.5862 1.0179 H 1 UNL1111111111 0.1690 35 HA -3.1667 -1.8363 -1.1122 H 1 UNL1111111111 0.2119 36 H -0.5993 -2.3201 0.4097 H 1 UNL1111111111 0.3293 37 H -4.1202 -5.0792 -0.6233 H 1 UNL1111111111 0.3583 38 H -1.3681 -0.5977 2.7855 H 1 UNL1111111111 0.1580 39 H 1.7706 -2.1036 -0.0068 H 1 UNL1111111111 0.1777 40 H 4.9158 1.1653 -1.4002 H 1 UNL1111111111 0.1677 41 H 7.2693 0.8759 -0.6583 H 1 UNL1111111111 0.1499 42 H 7.8189 -0.7637 1.1236 H 1 UNL1111111111 0.1464 43 H 6.0159 -2.1104 2.1693 H 1 UNL1111111111 0.1488 44 H 3.6657 -1.8236 1.4388 H 1 UNL1111111111 0.1550 45 H -0.5336 2.2141 -1.2630 H 1 UNL1111111111 0.1782 46 H 0.8645 2.6791 -2.2957 H 1 UNL1111111111 0.1803 47 H -0.3161 1.4310 -2.8608 H 1 UNL1111111111 0.1884 48 H -3.9271 2.8951 -1.2583 H 1 UNL1111111111 0.1571 49 H -2.8617 5.1450 -1.2744 H 1 UNL1111111111 0.1509 50 H -1.0099 5.6578 0.2742 H 1 UNL1111111111 0.1518 51 H -0.1997 3.9361 1.8790 H 1 UNL1111111111 0.1584 @BOND 1 1 25 ar 2 1 31 1 3 2 3 ar 4 3 26 ar 5 3 32 1 6 4 2 1 7 4 33 1 8 4 34 1 9 5 4 1 10 5 35 1 11 6 5 1 12 6 9 1 13 7 5 1 14 7 36 1 15 8 6 2 16 9 37 1 17 10 7 am 18 10 12 2 19 11 1 ar 20 11 2 ar 21 11 38 1 22 13 10 1 23 14 13 ar 24 14 24 1 25 15 14 ar 26 16 15 ar 27 16 17 ar 28 17 13 ar 29 17 39 1 30 18 16 1 31 19 18 ar 32 19 40 1 33 20 19 ar 34 20 41 1 35 21 20 ar 36 21 22 ar 37 21 42 1 38 22 23 ar 39 22 43 1 40 23 18 ar 41 23 44 1 42 24 45 1 43 24 46 1 44 24 47 1 45 25 30 ar 46 25 26 ar 47 26 27 ar 48 27 28 ar 49 27 48 1 50 28 49 1 51 29 28 ar 52 29 50 1 53 30 29 ar 54 30 51 1