@MOLECULE (5-chloro-2-{3-methyl-5-[(methylamino)methyl]-4h-1,2,4-triazol-4-yl}phenyl)(phenyl)methanone 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.6654 1.5495 0.0356 Cl 1 UNL1111111111 -0.0604 2 O 0.1132 0.5237 -2.6491 O.2 1 UNL1111111111 -0.3862 3 N 0.5650 -1.0410 0.6885 N.ar 1 UNL1111111111 -0.3609 4 N 2.3504 -2.3142 0.3293 N.ar 1 UNL1111111111 -0.2096 5 N 2.5742 -1.6115 1.4534 N.ar 1 UNL1111111111 -0.2199 6 N -0.1578 -3.8797 -1.1302 N.3 1 UNL1111111111 -0.4891 7 C -0.6863 -0.3936 0.5342 C.ar 1 UNL1111111111 0.1668 8 C 1.1422 -1.9959 -0.1740 C.ar 1 UNL1111111111 0.1056 9 C -0.8945 0.4993 -0.5256 C.ar 1 UNL1111111111 -0.1530 10 C 1.5136 -0.8184 1.7097 C.ar 1 UNL1111111111 0.1994 11 C 0.4994 -2.5889 -1.3843 C.3 1 UNL1111111111 -0.1030 12 C -1.7089 -0.6679 1.4522 C.ar 1 UNL1111111111 -0.1660 13 C -2.1414 1.0956 -0.6927 C.ar 1 UNL1111111111 -0.1107 14 C 0.2022 0.8306 -1.4877 C.2 1 UNL1111111111 0.4563 15 C 1.3507 0.1382 2.8127 C.3 1 UNL1111111111 -0.4338 16 C -2.9487 -0.0547 1.3016 C.ar 1 UNL1111111111 -0.1294 17 C -3.1408 0.8091 0.2293 C.ar 1 UNL1111111111 0.0148 18 C 1.3800 1.5110 -0.9122 C.ar 1 UNL1111111111 -0.1594 19 C 1.2294 2.4878 0.0737 C.ar 1 UNL1111111111 -0.1143 20 C 2.6500 1.1300 -1.3469 C.ar 1 UNL1111111111 -0.0725 21 C -1.4111 -3.7440 -0.3649 C.3 1 UNL1111111111 -0.2815 22 C 2.3584 3.0675 0.6440 C.ar 1 UNL1111111111 -0.1716 23 C 3.7775 1.7021 -0.7608 C.ar 1 UNL1111111111 -0.1526 24 C 3.6310 2.6657 0.2349 C.ar 1 UNL1111111111 -0.1042 25 H -0.2300 -1.8830 -1.8502 H 1 UNL1111111111 0.1733 26 H 1.2869 -2.7708 -2.1659 H 1 UNL1111111111 0.1876 27 H -1.5320 -1.3624 2.2749 H 1 UNL1111111111 0.1793 28 H -2.3199 1.7683 -1.5371 H 1 UNL1111111111 0.1924 29 H 1.4338 1.1814 2.4560 H 1 UNL1111111111 0.1793 30 H 0.3835 0.0351 3.3270 H 1 UNL1111111111 0.1691 31 H 2.1444 -0.0011 3.5722 H 1 UNL1111111111 0.1935 32 H -3.7516 -0.2597 2.0134 H 1 UNL1111111111 0.1809 33 H 0.4865 -4.5214 -0.6647 H 1 UNL1111111111 0.2677 34 H 0.2346 2.7971 0.3928 H 1 UNL1111111111 0.1539 35 H 2.7572 0.3784 -2.1329 H 1 UNL1111111111 0.1716 36 H -1.2887 -3.3187 0.6416 H 1 UNL1111111111 0.1143 37 H -1.8690 -4.7440 -0.2684 H 1 UNL1111111111 0.1528 38 H -2.1217 -3.1152 -0.9278 H 1 UNL1111111111 0.1498 39 H 2.2501 3.8337 1.4088 H 1 UNL1111111111 0.1545 40 H 4.7715 1.3871 -1.0765 H 1 UNL1111111111 0.1625 41 H 4.5134 3.1080 0.6966 H 1 UNL1111111111 0.1526 @BOND 1 1 17 1 2 2 14 2 3 3 7 1 4 3 8 ar 5 3 10 ar 6 4 5 ar 7 4 8 ar 8 5 10 ar 9 6 11 1 10 6 21 1 11 6 33 1 12 7 9 ar 13 7 12 ar 14 8 11 1 15 9 13 ar 16 9 14 1 17 10 15 1 18 11 25 1 19 11 26 1 20 12 16 ar 21 12 27 1 22 13 17 ar 23 13 28 1 24 14 18 1 25 15 29 1 26 15 30 1 27 15 31 1 28 16 17 ar 29 16 32 1 30 18 19 ar 31 18 20 ar 32 19 22 ar 33 19 34 1 34 20 23 ar 35 20 35 1 36 21 36 1 37 21 37 1 38 21 38 1 39 22 24 ar 40 22 39 1 41 23 24 ar 42 23 40 1 43 24 41 1