@MOLECULE n-{(1e)-1-amino-5-[(diaminomethylene)amino]-1-hydroxy-1-penten-2-yl}benzamide 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8552 -1.6872 0.5850 O.2 1 UNL111111111 -0.3605 2 C -2.4071 -0.6149 0.2312 C.2 1 UNL111111111 0.3560 3 C -3.2501 0.6017 0.0623 C.ar 1 UNL111111111 -0.0208 4 C -3.6418 1.0103 -1.2107 C.ar 1 UNL111111111 -0.2493 5 C -4.4555 2.1332 -1.3476 C.ar 1 UNL111111111 -0.1507 6 C -4.8683 2.8375 -0.2170 C.ar 1 UNL111111111 -0.1829 7 C -4.4752 2.4192 1.0538 C.ar 1 UNL111111111 -0.1796 8 C -3.6663 1.2937 1.1980 C.ar 1 UNL111111111 -0.1684 9 N -1.0713 -0.4310 -0.0717 N.am 1 UNL111111111 -0.5903 10 C -0.0615 -1.3985 0.1765 C.2 1 UNL111111111 0.0058 11 C -0.1673 -2.6963 -0.1962 C.2 1 UNL111111111 0.2415 12 N -1.2370 -3.4343 -0.7675 N.pl3 1 UNL111111111 -1.0151 13 O 0.9124 -3.4907 0.0423 O.2 1 UNL111111111 -0.3453 14 C 1.1790 -0.8727 0.8324 C.3 1 UNL111111111 -0.5626 15 C 2.1503 -0.3150 -0.2172 C.3 1 UNL111111111 -0.2116 16 C 3.4077 0.2237 0.4792 C.3 1 UNL111111111 -0.0866 17 N 4.2941 0.8233 -0.5472 N.pl3 1 UNL111111111 -0.7764 18 C 5.4721 1.4274 -0.0490 C.cat 1 UNL111111111 0.7511 19 N 6.3339 1.8867 -1.0814 N.pl3 1 UNL111111111 -1.0753 20 N 5.6920 1.5246 1.2213 N.pl3 1 UNL111111111 -0.8494 21 H -3.3226 0.4536 -2.0906 H 1 UNL111111111 0.2051 22 H -4.7704 2.4584 -2.3374 H 1 UNL111111111 0.1598 23 H -5.5034 3.7154 -0.3269 H 1 UNL111111111 0.1695 24 H -4.8041 2.9681 1.9346 H 1 UNL111111111 0.1908 25 H -3.3691 0.9512 2.1898 H 1 UNL111111111 0.2271 26 H -0.7284 0.4988 -0.2940 H 1 UNL111111111 0.4258 27 H -2.1112 -3.3170 -0.2493 H 1 UNL111111111 0.5029 28 H -1.3965 -3.2300 -1.7445 H 1 UNL111111111 0.4107 29 H 0.6898 -4.4474 -0.1314 H 1 UNL111111111 0.3766 30 H 0.9274 -0.0959 1.5834 H 1 UNL111111111 0.2394 31 H 1.6735 -1.6867 1.4106 H 1 UNL111111111 0.2555 32 H 2.4122 -1.1122 -0.9396 H 1 UNL111111111 0.1589 33 H 1.6703 0.4870 -0.8082 H 1 UNL111111111 0.1262 34 H 3.1483 1.0182 1.2182 H 1 UNL111111111 0.1852 35 H 3.9245 -0.5768 1.0541 H 1 UNL111111111 0.1793 36 H 4.4366 0.2186 -1.3538 H 1 UNL111111111 0.4186 37 H 7.0149 2.5770 -0.8261 H 1 UNL111111111 0.4131 38 H 5.9385 2.0506 -1.9888 H 1 UNL111111111 0.4186 39 H 6.4692 2.0415 1.5819 H 1 UNL111111111 0.4074 @BOND 1 1 2 2 2 2 3 1 3 2 9 am 4 3 4 ar 5 3 8 ar 6 4 5 ar 7 4 21 1 8 5 6 ar 9 5 22 1 10 6 7 ar 11 6 23 1 12 7 8 ar 13 7 24 1 14 8 25 1 15 9 10 1 16 9 26 1 17 10 11 2 18 10 14 1 19 11 12 1 20 11 13 1 21 12 27 1 22 12 28 1 23 13 29 1 24 14 15 1 25 14 30 1 26 14 31 1 27 15 16 1 28 15 32 1 29 15 33 1 30 16 17 1 31 16 34 1 32 16 35 1 33 17 18 1 34 17 36 1 35 18 19 1 36 18 20 2 37 19 37 1 38 19 38 1 39 20 39 1