@MOLECULE nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}benzoyl)-n-4-pyridinyl-d-tryptophanamide 76 81 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.8712 -4.1999 -0.9097 C.ar 1 UNL111111111 -0.3430 2 F 11.6873 -0.7493 -0.7522 F 1 UNL111111111 -0.2074 3 N -7.2230 -5.9085 0.1235 N.ar 1 UNL111111111 -0.4119 4 O -3.7756 -0.6540 -1.4911 O.2 1 UNL111111111 -0.5567 5 C -6.3382 -5.5106 -0.8129 C.ar 1 UNL111111111 0.0926 6 F 11.4403 -0.8977 1.3317 F 1 UNL111111111 -0.2087 7 N -5.8806 -1.9313 -0.1117 N.am 1 UNL111111111 -0.5642 8 O -6.6451 -1.0814 1.8750 O.2 1 UNL111111111 -0.5045 9 C -7.6714 -4.9932 1.0037 C.ar 1 UNL111111111 0.0872 10 F 11.5619 0.9934 0.4124 F 1 UNL111111111 -0.2103 11 N -3.9292 0.3012 0.5485 N.am 1 UNL111111111 -0.5879 12 C -7.2647 -3.6561 0.9936 C.ar 1 UNL111111111 -0.3178 13 F -1.6696 -2.4067 -0.9447 F 1 UNL111111111 -0.1458 14 N 2.4789 -0.1546 -0.2569 N.pl3 1 UNL111111111 -0.4186 15 C -6.3448 -3.2500 0.0172 C.ar 1 UNL111111111 0.2847 16 N 5.3304 -0.1995 -0.0689 N.pl3 1 UNL111111111 -0.4303 17 C -6.0326 -0.9355 0.8449 C.2 1 UNL111111111 0.5565 18 N -3.9542 4.6483 1.4572 N.ar 1 UNL111111111 -0.3830 19 C -5.3836 0.4188 0.4552 C.3 1 UNL111111111 0.0289 20 C -3.2035 -0.1816 -0.5235 C.2 1 UNL111111111 0.6323 21 C -1.7368 -0.1442 -0.3887 C.ar 1 UNL111111111 -0.3062 22 C -1.0263 1.0161 -0.0707 C.ar 1 UNL111111111 0.0044 23 C 0.3551 1.0001 0.0109 C.ar 1 UNL111111111 -0.3247 24 C 1.0872 -0.1910 -0.2328 C.ar 1 UNL111111111 0.3114 25 C 3.2281 -1.3997 -0.5084 C.3 1 UNL111111111 -0.0973 26 C 4.6403 -1.0556 -1.0498 C.3 1 UNL111111111 -0.1028 27 C 6.7286 -0.1452 -0.0780 C.ar 1 UNL111111111 0.2740 28 C 7.3916 0.5926 0.9296 C.ar 1 UNL111111111 -0.2858 29 C 8.7722 0.5582 1.0270 C.ar 1 UNL111111111 -0.0136 30 C 9.5270 -0.1964 0.1227 C.ar 1 UNL111111111 -0.2307 31 C 11.0134 -0.2150 0.2667 C.3 1 UNL111111111 0.5682 32 C 8.8856 -0.9247 -0.8776 C.ar 1 UNL111111111 -0.0063 33 C 7.5013 -0.8967 -0.9864 C.ar 1 UNL111111111 -0.3079 34 C 4.5857 1.0566 0.1447 C.3 1 UNL111111111 -0.0961 35 C 3.1857 0.7096 0.7080 C.3 1 UNL111111111 -0.0931 36 C 0.3785 -1.3680 -0.5535 C.ar 1 UNL111111111 -0.3930 37 C -1.0056 -1.3073 -0.6398 C.ar 1 UNL111111111 0.3367 38 C -5.9080 1.4984 1.4235 C.3 1 UNL111111111 -0.2780 39 C -5.2453 2.7938 1.1842 C.ar 1 UNL111111111 -0.1016 40 C -4.4130 3.4722 2.0606 C.ar 1 UNL111111111 -0.0599 41 C -4.5193 4.7372 0.1851 C.ar 1 UNL111111111 0.1035 42 C -5.3351 3.5794 -0.0175 C.ar 1 UNL111111111 -0.0803 43 C -6.0136 3.4271 -1.2316 C.ar 1 UNL111111111 -0.0992 44 C -5.8689 4.4032 -2.1994 C.ar 1 UNL111111111 -0.1918 45 C -5.0579 5.5392 -1.9842 C.ar 1 UNL111111111 -0.1061 46 C -4.3740 5.7254 -0.7983 C.ar 1 UNL111111111 -0.2224 47 H -5.1549 -3.9250 -1.6781 H 1 UNL111111111 0.1786 48 H -5.9997 -6.2907 -1.5051 H 1 UNL111111111 0.1674 49 H -5.2645 -1.7305 -0.9183 H 1 UNL111111111 0.3574 50 H -8.3893 -5.3629 1.7460 H 1 UNL111111111 0.1679 51 H -3.4858 0.7371 1.3417 H 1 UNL111111111 0.3228 52 H -7.6588 -2.9594 1.7321 H 1 UNL111111111 0.2038 53 H -3.3941 5.3427 1.8904 H 1 UNL111111111 0.3122 54 H -5.6758 0.6772 -0.6027 H 1 UNL111111111 0.1795 55 H -1.5683 1.9508 0.0991 H 1 UNL111111111 0.1597 56 H 0.8822 1.9247 0.2304 H 1 UNL111111111 0.1663 57 H 3.3166 -2.0134 0.4171 H 1 UNL111111111 0.1480 58 H 2.7054 -2.0115 -1.2791 H 1 UNL111111111 0.1577 59 H 4.5578 -0.5639 -2.0451 H 1 UNL111111111 0.1451 60 H 5.2006 -2.0089 -1.1836 H 1 UNL111111111 0.1550 61 H 6.8184 1.1642 1.6550 H 1 UNL111111111 0.1649 62 H 9.2661 1.1213 1.8236 H 1 UNL111111111 0.1645 63 H 9.4562 -1.5240 -1.5926 H 1 UNL111111111 0.1658 64 H 7.0296 -1.4551 -1.7898 H 1 UNL111111111 0.1645 65 H 5.1180 1.7133 0.8657 H 1 UNL111111111 0.1517 66 H 4.4820 1.6280 -0.8070 H 1 UNL111111111 0.1470 67 H 2.6217 1.6510 0.8831 H 1 UNL111111111 0.1508 68 H 3.2906 0.1979 1.6933 H 1 UNL111111111 0.1485 69 H 0.8874 -2.3117 -0.7266 H 1 UNL111111111 0.1846 70 H -7.0121 1.5932 1.2993 H 1 UNL111111111 0.1787 71 H -5.7847 1.1603 2.4775 H 1 UNL111111111 0.1774 72 H -4.1187 3.2131 3.0599 H 1 UNL111111111 0.1661 73 H -6.6432 2.5561 -1.4004 H 1 UNL111111111 0.1569 74 H -6.3859 4.3053 -3.1525 H 1 UNL111111111 0.1561 75 H -4.9766 6.2810 -2.7785 H 1 UNL111111111 0.1514 76 H -3.7528 6.5969 -0.6294 H 1 UNL111111111 0.1562 @BOND 1 1 5 ar 2 1 15 ar 3 1 47 1 4 2 31 1 5 3 5 ar 6 3 9 ar 7 4 20 2 8 5 48 1 9 6 31 1 10 7 15 1 11 7 17 am 12 7 49 1 13 8 17 2 14 9 12 ar 15 9 50 1 16 10 31 1 17 11 19 1 18 11 20 am 19 11 51 1 20 12 15 ar 21 12 52 1 22 13 37 1 23 14 24 1 24 14 25 1 25 14 35 1 26 16 26 1 27 16 27 1 28 16 34 1 29 17 19 1 30 18 40 ar 31 18 41 ar 32 18 53 1 33 19 38 1 34 19 54 1 35 20 21 1 36 21 22 ar 37 21 37 ar 38 22 23 ar 39 22 55 1 40 23 24 ar 41 23 56 1 42 24 36 ar 43 25 26 1 44 25 57 1 45 25 58 1 46 26 59 1 47 26 60 1 48 27 28 ar 49 27 33 ar 50 28 29 ar 51 28 61 1 52 29 30 ar 53 29 62 1 54 30 31 1 55 30 32 ar 56 32 33 ar 57 32 63 1 58 33 64 1 59 34 35 1 60 34 65 1 61 34 66 1 62 35 67 1 63 35 68 1 64 36 37 ar 65 36 69 1 66 38 39 1 67 38 70 1 68 38 71 1 69 39 40 ar 70 39 42 ar 71 40 72 1 72 41 42 ar 73 41 46 ar 74 42 43 ar 75 43 44 ar 76 43 73 1 77 44 45 ar 78 44 74 1 79 45 46 ar 80 45 75 1 81 46 76 1