@MOLECULE 4-[(1s,2r)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.7998 -0.5905 -0.8384 C.3 1 UNL111111111 0.0026 2 C 0.4407 0.3273 -0.5684 C.3 1 UNL111111111 0.1414 3 C 1.6599 -0.1436 -1.3707 C.3 1 UNL111111111 -0.3479 4 C 2.9288 0.2825 -0.7006 C.ar 1 UNL111111111 -0.0258 5 C 3.8831 -0.6730 -0.3448 C.ar 1 UNL111111111 -0.1262 6 C 5.0707 -0.2874 0.2722 C.ar 1 UNL111111111 -0.2134 7 C 5.2698 1.0692 0.5190 C.ar 1 UNL111111111 0.1936 8 C 4.3348 2.0462 0.1800 C.ar 1 UNL111111111 -0.2210 9 C 3.1563 1.6363 -0.4351 C.ar 1 UNL111111111 -0.1188 10 C -2.1174 0.0385 -0.4518 C.ar 1 UNL111111111 -0.0344 11 C -3.2741 -0.4396 -1.0762 C.ar 1 UNL111111111 -0.1512 12 C -4.5176 0.0837 -0.7413 C.ar 1 UNL111111111 -0.1086 13 C -4.6027 1.0951 0.2222 C.ar 1 UNL111111111 -0.0190 14 C -3.4490 1.5779 0.8457 C.ar 1 UNL111111111 -0.1117 15 C -2.2067 1.0456 0.5084 C.ar 1 UNL111111111 -0.1266 16 C -5.8726 1.6348 0.5665 C.1 1 UNL111111111 0.0997 17 C -0.0865 -3.8868 0.2729 C.ar 1 UNL111111111 0.0803 18 C -0.8947 -2.1158 1.2589 C.ar 1 UNL111111111 0.0959 19 O 0.1018 1.6488 -0.8912 O.3 1 UNL111111111 -0.5404 20 F 6.3971 1.4484 1.1027 F 1 UNL111111111 -0.1730 21 N -6.9060 2.0750 0.8450 N.1 1 UNL111111111 -0.2200 22 N -0.6363 -1.8321 -0.0812 N.ar 1 UNL111111111 -0.1820 23 N -0.1301 -2.9388 -0.6946 N.ar 1 UNL111111111 -0.2883 24 N -0.5556 -3.3964 1.4868 N.ar 1 UNL111111111 -0.4003 25 H -0.8179 -0.8456 -1.9397 H 1 UNL111111111 0.1839 26 H 0.6633 0.3919 0.5233 H 1 UNL111111111 0.1633 27 H 1.6341 -1.2498 -1.5009 H 1 UNL111111111 0.1832 28 H 1.6244 0.2605 -2.4047 H 1 UNL111111111 0.1649 29 H 3.7017 -1.7289 -0.5469 H 1 UNL111111111 0.1602 30 H 5.8178 -1.0277 0.5527 H 1 UNL111111111 0.1748 31 H 4.5168 3.0981 0.3903 H 1 UNL111111111 0.1732 32 H 2.3984 2.3753 -0.7051 H 1 UNL111111111 0.1720 33 H -3.2060 -1.2337 -1.8219 H 1 UNL111111111 0.1681 34 H -5.4215 -0.2919 -1.2235 H 1 UNL111111111 0.1700 35 H -3.5196 2.3697 1.5931 H 1 UNL111111111 0.1691 36 H -1.3089 1.4408 0.9910 H 1 UNL111111111 0.1811 37 H 0.2620 -4.8971 0.1358 H 1 UNL111111111 0.2037 38 H -1.3064 -1.4177 1.9678 H 1 UNL111111111 0.2055 39 H -0.0577 1.7656 -1.8500 H 1 UNL111111111 0.3220 @BOND 1 1 2 1 2 1 10 1 3 1 22 1 4 1 25 1 5 2 3 1 6 2 19 1 7 2 26 1 8 3 4 1 9 3 27 1 10 3 28 1 11 4 5 ar 12 4 9 ar 13 5 6 ar 14 5 29 1 15 6 7 ar 16 6 30 1 17 7 8 ar 18 7 20 1 19 8 9 ar 20 8 31 1 21 9 32 1 22 10 11 ar 23 10 15 ar 24 11 12 ar 25 11 33 1 26 12 13 ar 27 12 34 1 28 13 14 ar 29 13 16 1 30 14 15 ar 31 14 35 1 32 15 36 1 33 16 21 3 34 17 23 ar 35 17 24 ar 36 17 37 1 37 18 22 ar 38 18 24 ar 39 18 38 1 40 19 39 1 41 22 23 ar