@MOLECULE n-(trifluoroacetyl)-l-valyl-n-[4-(trifluoromethyl)phenyl]-l-alaninamide 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.6547 -0.1437 0.6044 C.2 1 UNL1111111111 0.5035 2 C -7.0090 0.3389 0.0081 C.3 1 UNL1111111111 0.4430 3 O -5.5922 -0.4332 1.7743 O.2 1 UNL1111111111 -0.4429 4 F -7.9767 0.3220 0.9127 F 1 UNL1111111111 -0.1568 5 F -6.9697 1.5810 -0.4633 F 1 UNL1111111111 -0.1839 6 F -7.4412 -0.4124 -1.0009 F 1 UNL1111111111 -0.1908 7 N -4.6154 -0.2055 -0.2737 N.am 1 UNL1111111111 -0.5395 8 C -3.3078 -0.6745 0.1858 C.3 1 UNL1111111111 -0.0147 9 C -2.2683 0.3226 -0.3535 C.2 1 UNL1111111111 0.5529 10 O -2.3796 0.8580 -1.4376 O.2 1 UNL1111111111 -0.5345 11 C -2.9521 -2.0918 -0.3511 C.3 1 UNL1111111111 -0.0777 12 C -3.7549 -3.1443 0.4137 C.3 1 UNL1111111111 -0.4502 13 C -3.1970 -2.2151 -1.8545 C.3 1 UNL1111111111 -0.4599 14 N -1.1922 0.5677 0.4661 N.am 1 UNL1111111111 -0.5910 15 C -0.1251 1.4646 0.0261 C.3 1 UNL1111111111 0.0338 16 C 1.2111 0.7675 0.3619 C.2 1 UNL1111111111 0.5498 17 O 1.3042 -0.0166 1.2756 O.2 1 UNL1111111111 -0.4919 18 C -0.1689 2.7906 0.7901 C.3 1 UNL1111111111 -0.4680 19 N 2.2843 1.1356 -0.4451 N.am 1 UNL1111111111 -0.5676 20 C 3.6133 0.6893 -0.2857 C.ar 1 UNL1111111111 0.2644 21 C 4.5471 1.1192 -1.2501 C.ar 1 UNL1111111111 -0.2765 22 C 5.8771 0.7366 -1.1445 C.ar 1 UNL1111111111 -0.0307 23 C 6.2871 -0.0757 -0.0863 C.ar 1 UNL1111111111 -0.1988 24 C 5.3640 -0.5015 0.8703 C.ar 1 UNL1111111111 -0.0328 25 C 4.0288 -0.1272 0.7751 C.ar 1 UNL1111111111 -0.2408 26 C 7.7222 -0.4760 0.0569 C.3 1 UNL1111111111 0.5607 27 F 8.3899 0.2603 0.9477 F 1 UNL1111111111 -0.2049 28 F 7.9063 -1.7334 0.4629 F 1 UNL1111111111 -0.2036 29 F 8.4537 -0.3898 -1.0543 F 1 UNL1111111111 -0.2056 30 H -4.6749 0.0612 -1.2525 H 1 UNL1111111111 0.3463 31 H -3.2972 -0.6997 1.3130 H 1 UNL1111111111 0.1870 32 H -1.8619 -2.2581 -0.1521 H 1 UNL1111111111 0.1435 33 H -4.8359 -2.9772 0.3246 H 1 UNL1111111111 0.1585 34 H -3.5513 -4.1519 0.0318 H 1 UNL1111111111 0.1520 35 H -3.5149 -3.1474 1.4835 H 1 UNL1111111111 0.1507 36 H -2.7552 -1.3783 -2.4127 H 1 UNL1111111111 0.1624 37 H -2.7531 -3.1367 -2.2503 H 1 UNL1111111111 0.1521 38 H -4.2656 -2.2472 -2.0968 H 1 UNL1111111111 0.1533 39 H -1.0632 0.1221 1.3668 H 1 UNL1111111111 0.3365 40 H -0.2297 1.6503 -1.0806 H 1 UNL1111111111 0.1857 41 H 0.6193 3.4782 0.4645 H 1 UNL1111111111 0.1571 42 H -1.1325 3.2982 0.6318 H 1 UNL1111111111 0.1760 43 H -0.0583 2.6459 1.8735 H 1 UNL1111111111 0.1686 44 H 2.1175 1.7785 -1.2165 H 1 UNL1111111111 0.3182 45 H 4.2344 1.7498 -2.0791 H 1 UNL1111111111 0.1640 46 H 6.5895 1.0844 -1.8972 H 1 UNL1111111111 0.1684 47 H 5.6778 -1.1302 1.7091 H 1 UNL1111111111 0.1711 48 H 3.3218 -0.4745 1.5331 H 1 UNL1111111111 0.2038 @BOND 1 1 2 1 2 1 3 2 3 1 7 am 4 2 4 1 5 2 5 1 6 2 6 1 7 7 8 1 8 7 30 1 9 8 9 1 10 8 11 1 11 8 31 1 12 9 10 2 13 9 14 am 14 11 12 1 15 11 13 1 16 11 32 1 17 12 33 1 18 12 34 1 19 12 35 1 20 13 36 1 21 13 37 1 22 13 38 1 23 14 15 1 24 14 39 1 25 15 16 1 26 15 18 1 27 15 40 1 28 16 17 2 29 16 19 am 30 18 41 1 31 18 42 1 32 18 43 1 33 19 20 1 34 19 44 1 35 20 21 ar 36 20 25 ar 37 21 22 ar 38 21 45 1 39 22 23 ar 40 22 46 1 41 23 24 ar 42 23 26 1 43 24 25 ar 44 24 47 1 45 25 48 1 46 26 27 1 47 26 28 1 48 26 29 1