@MOLECULE piperazine, 1-benzoyl-4-[2-[4-fluoro-7-(1h-1,2,3-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]- 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 F 1.2885 0.2453 -3.1516 F 1 UNL1111111111 -0.1109 2 O -0.3303 3.7661 0.7556 O.2 1 UNL1111111111 -0.5222 3 O -5.1987 0.2736 2.0406 O.2 1 UNL1111111111 -0.4968 4 O 0.2349 2.5474 -2.2554 O.2 1 UNL1111111111 -0.3609 5 N -1.9604 2.4692 -0.1452 N.am 1 UNL1111111111 -0.4350 6 N -3.0656 0.2400 1.2891 N.am 1 UNL1111111111 -0.4838 7 N 3.0081 1.0295 1.0852 N.ar 1 UNL1111111111 -0.2796 8 N 5.0047 -1.3030 0.5864 N.ar 1 UNL1111111111 -0.1691 9 N 3.9898 -1.4904 -1.5142 N.ar 1 UNL1111111111 -0.3668 10 N 5.1470 -0.7389 1.8382 N.ar 1 UNL1111111111 -0.1026 11 N 6.0925 -1.3472 2.4563 N.ar 1 UNL1111111111 -0.1454 12 C -2.8454 2.7112 1.0068 C.3 1 UNL1111111111 -0.1125 13 C -2.2795 1.2241 -0.8531 C.3 1 UNL1111111111 -0.1195 14 C -2.7962 1.5097 1.9835 C.3 1 UNL1111111111 -0.1074 15 C -2.2015 0.0203 0.1239 C.3 1 UNL1111111111 -0.1134 16 C -0.6652 2.9365 -0.0668 C.2 1 UNL1111111111 0.4737 17 C -4.3785 -0.2394 1.3088 C.2 1 UNL1111111111 0.5610 18 C 0.3635 2.4006 -1.0698 C.2 1 UNL1111111111 0.4089 19 C 1.4520 1.6918 -0.4286 C.ar 1 UNL1111111111 -0.2820 20 C 2.1893 0.6193 -1.0139 C.ar 1 UNL1111111111 0.0017 21 C -4.6808 -1.4473 0.4952 C.ar 1 UNL1111111111 -0.1251 22 C 3.1573 0.2156 -0.0374 C.ar 1 UNL1111111111 -0.0212 23 C 1.9841 1.9194 0.8477 C.ar 1 UNL1111111111 0.1007 24 C 4.0350 -0.8520 -0.3380 C.ar 1 UNL1111111111 0.2754 25 C 2.1697 -0.0798 -2.2281 C.ar 1 UNL1111111111 0.1252 26 C -4.0851 -2.6682 0.8087 C.ar 1 UNL1111111111 -0.1193 27 C -5.6071 -1.3477 -0.5413 C.ar 1 UNL1111111111 -0.1150 28 C 3.0775 -1.1135 -2.4475 C.ar 1 UNL1111111111 -0.0269 29 C -4.4105 -3.7997 0.0643 C.ar 1 UNL1111111111 -0.1505 30 C -5.9259 -2.4829 -1.2840 C.ar 1 UNL1111111111 -0.1484 31 C -5.3278 -3.7057 -0.9819 C.ar 1 UNL1111111111 -0.1269 32 C 5.9361 -2.3303 0.4381 C.ar 1 UNL1111111111 -0.0331 33 C 6.6324 -2.3519 1.6466 C.ar 1 UNL1111111111 -0.1485 34 H -3.8805 2.8700 0.6298 H 1 UNL1111111111 0.1595 35 H -2.5451 3.6493 1.5290 H 1 UNL1111111111 0.1765 36 H -1.6098 1.0687 -1.7262 H 1 UNL1111111111 0.1687 37 H -3.3083 1.3171 -1.2737 H 1 UNL1111111111 0.1622 38 H -1.7940 1.4359 2.4615 H 1 UNL1111111111 0.1513 39 H -3.5349 1.6565 2.8067 H 1 UNL1111111111 0.1781 40 H -2.4727 -0.9192 -0.4042 H 1 UNL1111111111 0.1604 41 H -1.1564 -0.1160 0.4874 H 1 UNL1111111111 0.1562 42 H 1.6880 2.6699 1.5758 H 1 UNL1111111111 0.2087 43 H 3.5943 0.9413 1.8999 H 1 UNL1111111111 0.3520 44 H -3.3761 -2.7356 1.6344 H 1 UNL1111111111 0.1633 45 H -6.0866 -0.3933 -0.7592 H 1 UNL1111111111 0.1624 46 H 3.1123 -1.6859 -3.3844 H 1 UNL1111111111 0.2027 47 H -3.9504 -4.7569 0.3026 H 1 UNL1111111111 0.1543 48 H -6.6488 -2.4154 -2.0953 H 1 UNL1111111111 0.1553 49 H -5.5814 -4.5919 -1.5618 H 1 UNL1111111111 0.1501 50 H 6.0150 -2.9159 -0.4623 H 1 UNL1111111111 0.2131 51 H 7.4365 -2.9733 1.9862 H 1 UNL1111111111 0.2012 @BOND 1 1 25 1 2 2 16 2 3 3 17 2 4 4 18 2 5 5 12 1 6 5 13 1 7 5 16 am 8 6 14 1 9 6 15 1 10 6 17 am 11 7 22 ar 12 7 23 ar 13 7 43 1 14 8 10 ar 15 8 24 1 16 8 32 ar 17 9 24 ar 18 9 28 ar 19 10 11 ar 20 11 33 ar 21 12 14 1 22 12 34 1 23 12 35 1 24 13 15 1 25 13 36 1 26 13 37 1 27 14 38 1 28 14 39 1 29 15 40 1 30 15 41 1 31 16 18 1 32 17 21 1 33 18 19 1 34 19 20 ar 35 19 23 ar 36 20 22 ar 37 20 25 ar 38 21 26 ar 39 21 27 ar 40 22 24 ar 41 23 42 1 42 25 28 ar 43 26 29 ar 44 26 44 1 45 27 30 ar 46 27 45 1 47 28 46 1 48 29 31 ar 49 29 47 1 50 30 31 ar 51 30 48 1 52 31 49 1 53 32 33 ar 54 32 50 1 55 33 51 1