@MOLECULE methyl n~2~-benzoyl-n~5~-(diaminomethylene)-l-ornithinate 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9549 3.7752 -0.5061 O.3 1 UNL111111111 -0.4044 2 O 0.0589 3.0056 1.4142 O.2 1 UNL111111111 -0.5092 3 O -1.6183 0.1386 -2.0775 O.2 1 UNL111111111 -0.5201 4 N -0.9708 0.8373 -0.0288 N.am 1 UNL111111111 -0.5980 5 N 2.9858 -1.6515 0.0734 N.pl3 1 UNL111111111 -0.5687 6 N 5.2861 -2.4509 0.1585 N.pl3 1 UNL111111111 -0.6771 7 N 3.5293 -3.7514 -0.7710 N.pl3 1 UNL111111111 -0.6241 8 C 1.4675 0.7575 -0.5407 C.3 1 UNL111111111 -0.2937 9 C 0.1640 1.5746 -0.5774 C.3 1 UNL111111111 0.0281 10 C 1.8720 0.3315 0.8725 C.3 1 UNL111111111 -0.2580 11 C 3.2117 -0.4337 0.8332 C.3 1 UNL111111111 -0.0788 12 C 0.3555 2.8343 0.2608 C.2 1 UNL111111111 0.5695 13 C -1.7783 0.0994 -0.8740 C.2 1 UNL111111111 0.5902 14 C -2.8609 -0.6872 -0.2242 C.ar 1 UNL111111111 -0.1280 15 C -4.1278 -0.6420 -0.8078 C.ar 1 UNL111111111 -0.0928 16 C -2.6228 -1.4837 0.8949 C.ar 1 UNL111111111 -0.1180 17 C 3.9057 -2.5363 -0.1386 C.cat 1 UNL111111111 0.5070 18 C 1.2172 5.0273 0.1181 C.3 1 UNL111111111 -0.1694 19 C -5.1690 -1.3818 -0.2530 C.ar 1 UNL111111111 -0.1630 20 C -3.6674 -2.2251 1.4442 C.ar 1 UNL111111111 -0.1605 21 C -4.9383 -2.1710 0.8733 C.ar 1 UNL111111111 -0.1202 22 H 2.2804 1.3317 -1.0238 H 1 UNL111111111 0.1512 23 H 1.3359 -0.1563 -1.1675 H 1 UNL111111111 0.1903 24 H -0.0621 1.8562 -1.6511 H 1 UNL111111111 0.2004 25 H 1.9609 1.2029 1.5462 H 1 UNL111111111 0.1392 26 H 1.0954 -0.3279 1.3094 H 1 UNL111111111 0.1549 27 H 3.9973 0.2016 0.3651 H 1 UNL111111111 0.1283 28 H 3.5426 -0.6507 1.8731 H 1 UNL111111111 0.1196 29 H -1.0579 0.8092 0.9765 H 1 UNL111111111 0.3277 30 H -4.2912 -0.0369 -1.7023 H 1 UNL111111111 0.1689 31 H -1.6268 -1.5428 1.3336 H 1 UNL111111111 0.1595 32 H 0.2850 5.4703 0.4849 H 1 UNL111111111 0.1418 33 H 1.6493 5.6201 -0.6971 H 1 UNL111111111 0.1477 34 H 1.9284 4.8957 0.9396 H 1 UNL111111111 0.1380 35 H -6.1601 -1.3484 -0.7019 H 1 UNL111111111 0.1539 36 H -3.4908 -2.8482 2.3192 H 1 UNL111111111 0.1534 37 H -5.7556 -2.7469 1.3043 H 1 UNL111111111 0.1479 38 H 5.5527 -1.7714 0.8474 H 1 UNL111111111 0.2888 39 H 5.7950 -3.3129 0.2439 H 1 UNL111111111 0.2942 40 H 4.1287 -4.0440 -1.5260 H 1 UNL111111111 0.2825 41 H 2.5500 -3.7764 -1.0378 H 1 UNL111111111 0.3011 @BOND 1 1 12 1 2 1 18 1 3 2 12 2 4 3 13 2 5 4 9 1 6 4 13 am 7 4 29 1 8 5 11 1 9 5 17 2 10 6 17 1 11 6 38 1 12 6 39 1 13 7 17 1 14 7 40 1 15 7 41 1 16 8 9 1 17 8 10 1 18 8 22 1 19 8 23 1 20 9 12 1 21 9 24 1 22 10 11 1 23 10 25 1 24 10 26 1 25 11 27 1 26 11 28 1 27 13 14 1 28 14 15 ar 29 14 16 ar 30 15 19 ar 31 15 30 1 32 16 20 ar 33 16 31 1 34 18 32 1 35 18 33 1 36 18 34 1 37 19 21 ar 38 19 35 1 39 20 21 ar 40 20 36 1 41 21 37 1