@MOLECULE 3-amino-6-chloro-n-(diaminomethylene)-5-[ethyl(2-methoxy-5-nitrobenzyl)amino]-2-pyrazinecarboxamide 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.8243 1.1178 -2.2585 Cl 1 UNL1111111111 -0.0179 2 O 4.2297 -0.1519 -0.4165 O.3 1 UNL1111111111 -0.3438 3 O -0.4178 -4.3359 0.0681 O.2 1 UNL1111111111 -0.3839 4 O -1.0442 -2.8365 1.4740 O.2 1 UNL1111111111 -0.4535 5 O -4.4845 2.2991 0.1292 O.2 1 UNL1111111111 -0.4602 6 N 1.7634 1.9294 0.6508 N.pl3 1 UNL1111111111 -0.4257 7 N -0.4058 1.7383 1.4440 N.ar 1 UNL1111111111 -0.4871 8 N -1.4766 1.4164 -1.1318 N.ar 1 UNL1111111111 -0.1799 9 N -0.2479 -3.2802 0.6532 N.pl3 1 UNL1111111111 0.6433 10 N -2.5296 1.4951 2.3724 N.pl3 1 UNL1111111111 -0.5714 11 N -4.2780 0.2619 -0.8689 N.am 1 UNL1111111111 -0.6560 12 N -3.3518 -1.4324 0.5664 N.pl3 1 UNL1111111111 -0.6598 13 N -4.1511 -1.9453 -1.5999 N.pl3 1 UNL1111111111 -0.6079 14 C 2.3968 0.8546 1.4293 C.3 1 UNL1111111111 -0.0516 15 C 2.2211 -0.4904 0.7708 C.ar 1 UNL1111111111 -0.1534 16 C 2.6065 2.6288 -0.3348 C.3 1 UNL1111111111 -0.0588 17 C 0.4139 1.7155 0.3629 C.ar 1 UNL1111111111 0.3719 18 C 3.1803 -0.9800 -0.1267 C.ar 1 UNL1111111111 0.2762 19 C 1.0922 -1.2605 1.0196 C.ar 1 UNL1111111111 -0.0504 20 C 3.4919 3.6248 0.4328 C.3 1 UNL1111111111 -0.4447 21 C 0.9382 -2.4967 0.3794 C.ar 1 UNL1111111111 -0.1281 22 C 3.0300 -2.2131 -0.7708 C.ar 1 UNL1111111111 -0.2559 23 C 1.8971 -2.9750 -0.5223 C.ar 1 UNL1111111111 -0.0318 24 C -0.1602 1.4852 -0.9243 C.ar 1 UNL1111111111 -0.0914 25 C -1.7435 1.6250 1.2447 C.ar 1 UNL1111111111 0.3587 26 C -2.2814 1.4933 -0.0751 C.ar 1 UNL1111111111 -0.1913 27 C 5.4945 -0.6694 -0.0140 C.3 1 UNL1111111111 -0.1917 28 C -3.7823 1.3973 -0.2595 C.2 1 UNL1111111111 0.6552 29 C -3.8927 -0.9746 -0.6371 C.2 1 UNL1111111111 0.6243 30 H 3.4776 1.0966 1.5643 H 1 UNL1111111111 0.1647 31 H 1.9415 0.8586 2.4523 H 1 UNL1111111111 0.1746 32 H 3.2308 1.9263 -0.9277 H 1 UNL1111111111 0.1451 33 H 1.9625 3.1964 -1.0450 H 1 UNL1111111111 0.1549 34 H 0.3276 -0.9060 1.7225 H 1 UNL1111111111 0.1986 35 H 2.9050 4.1772 1.1822 H 1 UNL1111111111 0.1677 36 H 4.3066 3.1256 0.9622 H 1 UNL1111111111 0.1395 37 H 3.9304 4.3533 -0.2552 H 1 UNL1111111111 0.1489 38 H 3.7843 -2.5540 -1.4781 H 1 UNL1111111111 0.1792 39 H 1.7467 -3.9362 -1.0266 H 1 UNL1111111111 0.1861 40 H 5.6696 -1.6791 -0.3913 H 1 UNL1111111111 0.1344 41 H 5.5635 -0.6364 1.0789 H 1 UNL1111111111 0.1338 42 H 6.2015 0.0378 -0.4713 H 1 UNL1111111111 0.1569 43 H -2.0938 1.6685 3.2652 H 1 UNL1111111111 0.3124 44 H -3.4908 1.7967 2.2961 H 1 UNL1111111111 0.3208 45 H -2.8625 -2.3092 0.6068 H 1 UNL1111111111 0.3190 46 H -2.9613 -0.7377 1.1853 H 1 UNL1111111111 0.3113 47 H -4.3389 -2.8835 -1.3050 H 1 UNL1111111111 0.2989 48 H -4.6604 -1.6394 -2.4167 H 1 UNL1111111111 0.3202 @BOND 1 1 24 1 2 2 18 1 3 2 27 1 4 3 9 2 5 4 9 2 6 5 28 2 7 6 14 1 8 6 16 1 9 6 17 1 10 7 17 ar 11 7 25 ar 12 8 24 ar 13 8 26 ar 14 9 21 1 15 10 25 1 16 10 43 1 17 10 44 1 18 11 28 1 19 11 29 2 20 12 29 1 21 12 45 1 22 12 46 1 23 13 29 1 24 13 47 1 25 13 48 1 26 14 15 1 27 14 30 1 28 14 31 1 29 15 18 ar 30 15 19 ar 31 16 20 1 32 16 32 1 33 16 33 1 34 17 24 ar 35 18 22 ar 36 19 21 ar 37 19 34 1 38 20 35 1 39 20 36 1 40 20 37 1 41 21 23 ar 42 22 23 ar 43 22 38 1 44 23 39 1 45 25 26 ar 46 26 28 1 47 27 40 1 48 27 41 1 49 27 42 1