@MOLECULE (2r,6s)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydro-2,4-quinazolinediamine 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.5411 1.8073 0.6158 C.3 1 UNL1111111111 0.4300 2 C 2.1607 1.5201 0.4471 C.2 1 UNL1111111111 0.4761 3 C 2.2839 0.0849 0.2168 C.2 1 UNL1111111111 -0.3333 4 C 1.0624 -0.7257 -0.0294 C.3 1 UNL1111111111 -0.2473 5 C 1.3243 -2.2403 -0.0660 C.3 1 UNL1111111111 -0.1330 6 C 2.6247 -2.5270 -0.8307 C.3 1 UNL1111111111 -0.2691 7 C 3.8082 -1.8930 -0.0914 C.3 1 UNL1111111111 -0.3045 8 C 3.5446 -0.4403 0.1952 C.2 1 UNL1111111111 0.2834 9 C 0.1536 -2.9841 -0.7591 C.3 1 UNL1111111111 -0.0965 10 C -1.7628 -1.6234 -0.0693 C.ar 1 UNL1111111111 0.3337 11 C -2.2922 -1.0451 1.0974 C.ar 1 UNL1111111111 -0.4701 12 C -2.9245 0.1967 1.0223 C.ar 1 UNL1111111111 0.2908 13 C -3.3615 0.2552 3.3495 C.3 1 UNL1111111111 -0.2156 14 C -3.0376 0.8856 -0.1958 C.ar 1 UNL1111111111 -0.0992 15 C -2.9507 3.2024 -0.1147 C.3 1 UNL1111111111 -0.2224 16 C -2.5082 0.2898 -1.3532 C.ar 1 UNL1111111111 0.2846 17 C -2.1777 0.5014 -3.6883 C.3 1 UNL1111111111 -0.2133 18 C -1.8876 -0.9553 -1.3042 C.ar 1 UNL1111111111 -0.4541 19 N 4.6505 0.3162 0.5307 N.pl3 1 UNL1111111111 -0.5770 20 N 5.3261 2.3401 -0.5249 N.3 1 UNL1111111111 -0.7019 21 N 3.1949 2.3217 0.5936 N.2 1 UNL1111111111 -0.6868 22 N 0.9125 2.1115 0.5473 N.pl3 1 UNL1111111111 -0.6165 23 N -1.1435 -2.8912 -0.0623 N.pl3 1 UNL1111111111 -0.4070 24 O -3.4437 0.8754 2.0717 O.3 1 UNL1111111111 -0.2645 25 O -3.7673 2.0414 -0.2714 O.3 1 UNL1111111111 -0.2591 26 O -2.6274 1.0610 -2.4595 O.3 1 UNL1111111111 -0.2699 27 C -1.1620 -3.6356 1.2073 C.3 1 UNL1111111111 -0.2561 28 H 5.0445 2.1135 1.5833 H 1 UNL1111111111 0.1574 29 H 0.3106 -0.5158 0.7665 H 1 UNL1111111111 0.1585 30 H 0.5992 -0.4045 -0.9893 H 1 UNL1111111111 0.1523 31 H 1.4281 -2.6121 0.9798 H 1 UNL1111111111 0.1424 32 H 2.7861 -3.6149 -0.9382 H 1 UNL1111111111 0.1372 33 H 2.5585 -2.1191 -1.8580 H 1 UNL1111111111 0.1495 34 H 3.9866 -2.4222 0.8710 H 1 UNL1111111111 0.1675 35 H 4.7359 -2.0251 -0.6836 H 1 UNL1111111111 0.1534 36 H 0.0279 -2.6047 -1.7978 H 1 UNL1111111111 0.1501 37 H 0.4036 -4.0642 -0.8593 H 1 UNL1111111111 0.1375 38 H -2.2002 -1.5466 2.0503 H 1 UNL1111111111 0.1749 39 H -3.8418 1.0034 3.9946 H 1 UNL1111111111 0.1521 40 H -3.9259 -0.6817 3.3672 H 1 UNL1111111111 0.1348 41 H -2.3191 0.1050 3.6474 H 1 UNL1111111111 0.1376 42 H -2.2329 3.2782 -0.9360 H 1 UNL1111111111 0.1283 43 H -3.6831 4.0159 -0.1651 H 1 UNL1111111111 0.1422 44 H -2.4512 3.1960 0.8582 H 1 UNL1111111111 0.1300 45 H -2.4221 1.2985 -4.4034 H 1 UNL1111111111 0.1510 46 H -1.0985 0.3225 -3.6647 H 1 UNL1111111111 0.1352 47 H -2.7321 -0.4104 -3.9316 H 1 UNL1111111111 0.1376 48 H -1.5260 -1.4299 -2.2077 H 1 UNL1111111111 0.1777 49 H 5.5684 -0.0094 0.2427 H 1 UNL1111111111 0.3134 50 H 4.8193 2.2991 -1.3964 H 1 UNL1111111111 0.2592 51 H 5.6122 3.2959 -0.3716 H 1 UNL1111111111 0.2693 52 H 0.1008 1.6377 0.2168 H 1 UNL1111111111 0.3072 53 H 0.8650 3.1113 0.6019 H 1 UNL1111111111 0.3118 54 H -0.5685 -3.1665 2.0088 H 1 UNL1111111111 0.1323 55 H -2.2068 -3.7440 1.5506 H 1 UNL1111111111 0.1549 56 H -0.7743 -4.6544 1.0377 H 1 UNL1111111111 0.1432 @BOND 1 1 19 1 2 1 20 1 3 1 21 1 4 1 28 1 5 2 3 1 6 2 21 2 7 2 22 1 8 3 4 1 9 3 8 2 10 4 5 1 11 4 29 1 12 4 30 1 13 5 6 1 14 5 9 1 15 5 31 1 16 6 7 1 17 6 32 1 18 6 33 1 19 7 8 1 20 7 34 1 21 7 35 1 22 8 19 1 23 9 23 1 24 9 36 1 25 9 37 1 26 10 11 ar 27 10 18 ar 28 10 23 1 29 11 12 ar 30 11 38 1 31 12 14 ar 32 12 24 1 33 13 24 1 34 13 39 1 35 13 40 1 36 13 41 1 37 14 16 ar 38 14 25 1 39 15 25 1 40 15 42 1 41 15 43 1 42 15 44 1 43 16 18 ar 44 16 26 1 45 17 26 1 46 17 45 1 47 17 46 1 48 17 47 1 49 18 48 1 50 19 49 1 51 20 50 1 52 20 51 1 53 22 52 1 54 22 53 1 55 23 27 1 56 27 54 1 57 27 55 1 58 27 56 1