@MOLECULE n-benzyl-2-(3-cyanophenyl)-1,3,7-trioxo-2,3,7,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3889 -3.7072 -0.2310 O.2 1 UNL1111111111 -0.4170 2 O 0.2006 0.5974 0.3661 O.2 1 UNL1111111111 -0.4089 3 O -5.8430 -0.9336 -0.6094 O.2 1 UNL1111111111 -0.4026 4 O -2.4007 2.5142 1.6838 O.2 1 UNL1111111111 -0.4577 5 N -2.4358 -1.6125 -0.0145 N.ar 1 UNL1111111111 -0.2936 6 N -1.8966 -0.2926 -0.1853 N.ar 1 UNL1111111111 -0.3465 7 N -0.1611 -1.7212 0.1095 N.ar 1 UNL1111111111 -0.5189 8 N -1.4761 2.7140 -0.3976 N.am 1 UNL1111111111 -0.5415 9 N 5.4876 -0.2984 -0.7287 N.1 1 UNL1111111111 -0.2306 10 C -3.6547 -1.8276 -0.8015 C.3 1 UNL1111111111 -0.2000 11 C -2.7949 0.7394 0.1567 C.2 1 UNL1111111111 0.1565 12 C -1.3247 -2.5188 -0.1156 C.ar 1 UNL1111111111 0.6674 13 C -0.5051 -0.3493 0.1741 C.ar 1 UNL1111111111 0.6722 14 C -4.6695 -0.7256 -0.4508 C.2 1 UNL1111111111 0.4781 15 C -4.1200 0.5588 0.0092 C.2 1 UNL1111111111 -0.3199 16 C 1.1699 -2.2084 0.1762 C.ar 1 UNL1111111111 0.1982 17 C -2.1837 2.0602 0.5844 C.2 1 UNL1111111111 0.5475 18 C 2.2295 -1.3670 -0.1818 C.ar 1 UNL1111111111 -0.1618 19 C 1.4072 -3.5217 0.6057 C.ar 1 UNL1111111111 -0.1542 20 C -0.6247 3.8594 -0.0269 C.3 1 UNL1111111111 -0.0798 21 C 0.8216 3.4375 -0.0585 C.ar 1 UNL1111111111 -0.0568 22 C 3.5332 -1.8598 -0.0966 C.ar 1 UNL1111111111 -0.0006 23 C 2.7154 -3.9920 0.6721 C.ar 1 UNL1111111111 -0.1182 24 C 3.7841 -3.1685 0.3252 C.ar 1 UNL1111111111 -0.1298 25 C 1.4008 2.8556 1.0700 C.ar 1 UNL1111111111 -0.1128 26 C 1.5663 3.5865 -1.2289 C.ar 1 UNL1111111111 -0.1597 27 C 2.7245 2.4225 1.0258 C.ar 1 UNL1111111111 -0.1497 28 C 2.8888 3.1501 -1.2701 C.ar 1 UNL1111111111 -0.1524 29 C 3.4683 2.5682 -0.1438 C.ar 1 UNL1111111111 -0.1419 30 C 4.6145 -1.0036 -0.4465 C.1 1 UNL1111111111 0.1126 31 H -4.0599 -2.8335 -0.5194 H 1 UNL1111111111 0.2043 32 H -3.4945 -1.8407 -1.9031 H 1 UNL1111111111 0.1728 33 H -4.8443 1.3497 0.2144 H 1 UNL1111111111 0.2085 34 H -1.1874 2.2164 -1.2312 H 1 UNL1111111111 0.3137 35 H 2.0590 -0.3390 -0.5155 H 1 UNL1111111111 0.1976 36 H 0.5780 -4.1765 0.8862 H 1 UNL1111111111 0.1896 37 H -0.9159 4.2439 0.9820 H 1 UNL1111111111 0.1788 38 H -0.8307 4.6870 -0.7456 H 1 UNL1111111111 0.1515 39 H 2.9032 -5.0150 1.0026 H 1 UNL1111111111 0.1656 40 H 4.8076 -3.5390 0.3820 H 1 UNL1111111111 0.1674 41 H 0.8133 2.7236 1.9789 H 1 UNL1111111111 0.1621 42 H 1.1189 4.0407 -2.1096 H 1 UNL1111111111 0.1454 43 H 3.1756 1.9664 1.9051 H 1 UNL1111111111 0.1527 44 H 3.4713 3.2621 -2.1823 H 1 UNL1111111111 0.1504 45 H 4.5034 2.2266 -0.1801 H 1 UNL1111111111 0.1620 @BOND 1 1 12 2 2 2 13 2 3 3 14 2 4 4 17 2 5 5 6 ar 6 5 10 1 7 5 12 ar 8 6 11 1 9 6 13 ar 10 7 12 ar 11 7 13 ar 12 7 16 1 13 8 17 am 14 8 20 1 15 8 34 1 16 9 30 3 17 10 14 1 18 10 31 1 19 10 32 1 20 11 15 2 21 11 17 1 22 14 15 1 23 15 33 1 24 16 18 ar 25 16 19 ar 26 18 22 ar 27 18 35 1 28 19 23 ar 29 19 36 1 30 20 21 1 31 20 37 1 32 20 38 1 33 21 25 ar 34 21 26 ar 35 22 24 ar 36 22 30 1 37 23 24 ar 38 23 39 1 39 24 40 1 40 25 27 ar 41 25 41 1 42 26 28 ar 43 26 42 1 44 27 29 ar 45 27 43 1 46 28 29 ar 47 28 44 1 48 29 45 1