@MOLECULE n~5~-(diaminomethylene)-l-ornithyl-l-phenylalaninamide 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8836 -1.4445 -1.8515 O.2 1 UNL1111111111 -0.5438 2 O 4.5456 -0.3357 0.9022 O.2 1 UNL1111111111 -0.5245 3 N 1.8627 -0.6995 0.2863 N.am 1 UNL1111111111 -0.5668 4 N 1.8138 -3.5749 0.8200 N.3 1 UNL1111111111 -0.6660 5 N -3.5394 -0.8275 -0.5624 N.pl3 1 UNL1111111111 -0.5543 6 N 4.8323 1.0077 -0.8860 N.am 1 UNL1111111111 -0.6832 7 N -5.2414 -0.4772 1.1463 N.pl3 1 UNL1111111111 -0.6817 8 N -5.6096 0.0828 -1.1332 N.pl3 1 UNL1111111111 -0.6213 9 C 0.9553 -2.9500 -0.2139 C.3 1 UNL1111111111 -0.0182 10 C -0.4136 -2.6725 0.4358 C.3 1 UNL1111111111 -0.2795 11 C 2.5189 0.5487 -0.0837 C.3 1 UNL1111111111 0.0224 12 C -1.3477 -1.8720 -0.4711 C.3 1 UNL1111111111 -0.2728 13 C 2.1216 1.6776 0.8917 C.3 1 UNL1111111111 -0.3105 14 C 1.6212 -1.6492 -0.6835 C.2 1 UNL1111111111 0.5605 15 C 0.7731 2.2262 0.5426 C.ar 1 UNL1111111111 0.0169 16 C -2.6274 -1.5303 0.3236 C.3 1 UNL1111111111 -0.0770 17 C 4.0447 0.3427 0.0308 C.2 1 UNL1111111111 0.5469 18 C -0.3823 1.6676 1.0919 C.ar 1 UNL1111111111 -0.1584 19 C 0.6701 3.3062 -0.3371 C.ar 1 UNL1111111111 -0.1788 20 C -1.6323 2.1924 0.7700 C.ar 1 UNL1111111111 -0.1291 21 C -0.5818 3.8285 -0.6567 C.ar 1 UNL1111111111 -0.1340 22 C -1.7339 3.2754 -0.1014 C.ar 1 UNL1111111111 -0.1588 23 C -4.7187 -0.4575 -0.1737 C.cat 1 UNL1111111111 0.5028 24 H 0.8239 -3.6008 -1.1191 H 1 UNL1111111111 0.1497 25 H -0.8849 -3.6374 0.7075 H 1 UNL1111111111 0.1421 26 H -0.2666 -2.1409 1.3995 H 1 UNL1111111111 0.1548 27 H 2.2185 0.8114 -1.1391 H 1 UNL1111111111 0.1881 28 H -0.8814 -0.9320 -0.8308 H 1 UNL1111111111 0.1674 29 H -1.6101 -2.4379 -1.3839 H 1 UNL1111111111 0.1590 30 H 2.8850 2.4837 0.8630 H 1 UNL1111111111 0.1632 31 H 2.1423 1.3001 1.9381 H 1 UNL1111111111 0.1686 32 H 1.8531 -0.9594 1.2672 H 1 UNL1111111111 0.3342 33 H -3.0819 -2.4664 0.7196 H 1 UNL1111111111 0.1174 34 H -2.3515 -0.8957 1.1957 H 1 UNL1111111111 0.1257 35 H 1.5855 -4.5453 0.9637 H 1 UNL1111111111 0.2594 36 H 2.7958 -3.4866 0.6142 H 1 UNL1111111111 0.2647 37 H -0.3089 0.8151 1.7634 H 1 UNL1111111111 0.1526 38 H 1.5643 3.7421 -0.7752 H 1 UNL1111111111 0.1472 39 H -2.5328 1.7498 1.1942 H 1 UNL1111111111 0.1510 40 H -0.6584 4.6694 -1.3423 H 1 UNL1111111111 0.1444 41 H 5.8264 0.8852 -0.8652 H 1 UNL1111111111 0.3106 42 H 4.4555 1.4878 -1.6733 H 1 UNL1111111111 0.3064 43 H -2.7102 3.6831 -0.3521 H 1 UNL1111111111 0.1464 44 H -6.2416 -0.4467 1.2491 H 1 UNL1111111111 0.2870 45 H -4.8200 -1.1303 1.7834 H 1 UNL1111111111 0.2869 46 H -6.2261 0.8048 -0.7987 H 1 UNL1111111111 0.2794 47 H -5.1651 0.3373 -2.0080 H 1 UNL1111111111 0.3031 @BOND 1 1 14 2 2 2 17 2 3 3 11 1 4 3 14 am 5 3 32 1 6 4 9 1 7 4 35 1 8 4 36 1 9 5 16 1 10 5 23 2 11 6 17 am 12 6 41 1 13 6 42 1 14 7 23 1 15 7 44 1 16 7 45 1 17 8 23 1 18 8 46 1 19 8 47 1 20 9 10 1 21 9 14 1 22 9 24 1 23 10 12 1 24 10 25 1 25 10 26 1 26 11 13 1 27 11 17 1 28 11 27 1 29 12 16 1 30 12 28 1 31 12 29 1 32 13 15 1 33 13 30 1 34 13 31 1 35 15 18 ar 36 15 19 ar 37 16 33 1 38 16 34 1 39 18 20 ar 40 18 37 1 41 19 21 ar 42 19 38 1 43 20 22 ar 44 20 39 1 45 21 22 ar 46 21 40 1 47 22 43 1