@MOLECULE n-{3-[(5z)-5-[5-(1h-indol-4-yl)-1,3,4-oxadiazol-2(3h)-ylidene]-3-(trifluoromethyl)-2,5-dihydro-1h-pyrazol-1-yl]benzyl}-l-alaninamide 36 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 1.8297 1.0807 -0.0294 N.ar 1 UNL1 -0.0797 2 C 2.8542 0.0741 -0.0159 C.ar 1 UNL1 -0.1750 3 C 4.1865 0.7984 -0.0099 C.ar 1 UNL1 0.2915 4 C 3.7113 2.1773 -0.0263 C.ar 1 UNL1 -0.3944 5 N 2.3675 2.2953 -0.0316 N.ar 1 UNL1 0.0478 6 C 0.4438 0.9035 -0.0280 C.ar 1 UNL1 -0.1383 7 C -0.2301 -0.2668 -0.0254 C.ar 1 UNL1 -0.1094 8 C -1.2242 -1.2720 -0.0150 C.ar 1 UNL1 0.0385 9 C -1.7259 -0.0112 -0.0215 C.ar 1 UNL1 0.0955 10 C -1.8992 1.3727 -0.0250 C.ar 1 UNL1 -0.4443 11 C -0.5368 2.0382 -0.0250 C.ar 1 UNL1 0.3129 12 C 2.6954 -1.2557 -0.0104 C.ar 1 UNL1 0.2496 13 C -3.0108 2.1215 -0.0302 C.3 1 UNL1 0.6047 14 N -3.9971 2.7757 -0.1246 N.am 1 UNL1 -0.4825 15 C 4.6031 3.3551 -0.0112 C.3 1 UNL1 0.6075 16 F 5.7653 3.1561 -0.6328 F 1 UNL1 -0.1947 17 F 4.1057 4.4517 -0.5845 F 1 UNL1 -0.2022 18 F 4.9469 3.7520 1.2166 F 1 UNL1 -0.2086 19 C -5.0358 3.6873 0.1345 C.2 1 UNL1 0.6705 20 C -6.3402 3.1255 -0.1333 C.3 1 UNL1 -0.1969 21 O -4.7930 4.8066 0.4763 O.2 1 UNL1 -0.2888 22 N -7.2939 2.4062 0.4138 N.3 1 UNL1 -0.2981 23 C -7.6043 2.8720 -0.8752 C.3 1 UNL1 0.4501 24 N 3.6678 -2.3283 0.0193 N.ar 1 UNL1 -0.0329 25 N 3.0803 -3.4282 0.0209 N.ar 1 UNL1 -0.0599 26 C 1.6546 -3.2250 -0.0140 C.ar 1 UNL1 0.1630 27 O 1.4380 -1.8547 -0.0311 O.2 1 UNL1 -0.2309 28 C 0.6354 -4.1067 -0.0080 C.ar 1 UNL1 -0.0164 29 C 0.7438 -5.5101 -0.0137 C.2 1 UNL1 0.1201 30 C -0.0789 -6.4702 0.1143 C.3 1 UNL1 -0.0126 31 C -1.3364 -6.1259 -0.1083 C.3 1 UNL1 0.0445 32 C -1.9487 -4.9259 0.0367 C.ar 1 UNL1 0.3200 33 C -0.7926 -3.7615 -0.0224 C.ar 1 UNL1 -0.1291 34 C -1.5142 -2.6302 -0.0032 C.ar 1 UNL1 -0.1701 35 C -3.1454 -3.0246 0.0949 C.ar 1 UNL1 0.4617 36 N -3.1476 -4.3795 0.1174 N.ar 1 UNL1 -0.6133 @BOND 1 23 20 1 2 23 22 1 3 16 15 1 4 17 15 1 5 20 19 1 6 20 22 1 7 14 13 1 8 14 19 am 9 31 32 1 10 31 30 1 11 5 1 ar 12 5 4 ar 13 27 26 ar 14 27 12 ar 15 13 10 1 16 1 6 ar 17 1 2 ar 18 6 7 ar 19 6 11 ar 20 4 15 1 21 4 3 ar 22 7 9 ar 23 7 8 1 24 11 10 ar 25 10 9 ar 26 33 28 ar 27 33 34 ar 28 33 32 ar 29 9 8 ar 30 2 12 ar 31 2 3 ar 32 8 34 ar 33 26 28 ar 34 26 25 ar 35 29 28 2 36 29 30 1 37 15 18 1 38 12 24 ar 39 34 35 ar 40 24 25 ar 41 32 36 ar 42 35 36 ar 43 19 21 2