@MOLECULE 1-(4-nitrophenyl)-3-{[3-(trifluoromethyl)phenyl]amino}-1-propanone 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 F -7.0786 0.0061 -0.1868 F 1 UNL1111111111 -0.2005 2 F -5.8298 -1.5176 -0.9143 F 1 UNL1111111111 -0.2053 3 F -5.9157 -1.1237 1.1554 F 1 UNL1111111111 -0.2023 4 O 1.1797 -0.4144 1.8456 O.2 1 UNL1111111111 -0.4144 5 O 7.7277 -0.4712 -1.0934 O.2 1 UNL1111111111 -0.3894 6 O 7.6138 1.3386 0.0667 O.2 1 UNL1111111111 -0.3844 7 N -1.0153 0.3088 -0.4453 N.pl3 1 UNL1111111111 -0.5265 8 N 7.1217 0.3221 -0.3924 N.pl3 1 UNL1111111111 0.6127 9 C -0.7116 -1.0829 -0.0624 C.3 1 UNL1111111111 -0.0611 10 C 0.7817 -1.3572 -0.2991 C.3 1 UNL1111111111 -0.4031 11 C -2.3256 0.7764 -0.2986 C.ar 1 UNL1111111111 0.2341 12 C 1.6337 -0.7348 0.7755 C.2 1 UNL1111111111 0.4472 13 C 3.0689 -0.4920 0.4597 C.ar 1 UNL1111111111 -0.1091 14 C -3.4270 -0.0879 -0.1861 C.ar 1 UNL1111111111 -0.2438 15 C -4.7132 0.4460 -0.1587 C.ar 1 UNL1111111111 -0.0503 16 C -2.5431 2.1716 -0.3613 C.ar 1 UNL1111111111 -0.2481 17 C -4.9335 1.8158 -0.2267 C.ar 1 UNL1111111111 -0.1813 18 C 3.7952 -1.3745 -0.3401 C.ar 1 UNL1111111111 -0.1356 19 C 3.6720 0.6454 1.0000 C.ar 1 UNL1111111111 -0.1121 20 C -3.8335 2.6736 -0.3291 C.ar 1 UNL1111111111 -0.0768 21 C -5.8634 -0.5169 -0.0320 C.3 1 UNL1111111111 0.5431 22 C 5.1333 -1.1131 -0.6187 C.ar 1 UNL1111111111 -0.1001 23 C 5.0082 0.9211 0.7230 C.ar 1 UNL1111111111 -0.0998 24 C 5.7222 0.0379 -0.0892 C.ar 1 UNL1111111111 -0.0501 25 H -0.9780 -1.2843 1.0034 H 1 UNL1111111111 0.1555 26 H -1.3218 -1.7664 -0.6994 H 1 UNL1111111111 0.1541 27 H 0.9565 -2.4549 -0.3160 H 1 UNL1111111111 0.1821 28 H 1.0769 -0.9925 -1.3057 H 1 UNL1111111111 0.1860 29 H -0.2870 0.9690 -0.1931 H 1 UNL1111111111 0.2921 30 H -3.2779 -1.1629 -0.1225 H 1 UNL1111111111 0.1715 31 H -1.6962 2.8484 -0.4426 H 1 UNL1111111111 0.1594 32 H -5.9357 2.2392 -0.1985 H 1 UNL1111111111 0.1715 33 H 3.3267 -2.2720 -0.7453 H 1 UNL1111111111 0.1646 34 H 3.0956 1.3115 1.6494 H 1 UNL1111111111 0.1814 35 H -3.9978 3.7512 -0.3814 H 1 UNL1111111111 0.1559 36 H 5.7186 -1.7961 -1.2438 H 1 UNL1111111111 0.1903 37 H 5.4933 1.8121 1.1368 H 1 UNL1111111111 0.1926 @BOND 1 1 21 1 2 2 21 1 3 3 21 1 4 4 12 2 5 5 8 2 6 6 8 2 7 7 9 1 8 7 11 1 9 7 29 1 10 8 24 1 11 9 10 1 12 9 25 1 13 9 26 1 14 10 12 1 15 10 27 1 16 10 28 1 17 11 14 ar 18 11 16 ar 19 12 13 1 20 13 18 ar 21 13 19 ar 22 14 15 ar 23 14 30 1 24 15 17 ar 25 15 21 1 26 16 20 ar 27 16 31 1 28 17 20 ar 29 17 32 1 30 18 22 ar 31 18 33 1 32 19 23 ar 33 19 34 1 34 20 35 1 35 22 24 ar 36 22 36 1 37 23 24 ar 38 23 37 1