REMARK Name = BDB026092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.401 -0.736 0.029 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.976 -2.055 0.249 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.873 -3.023 0.493 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.371 -2.419 0.218 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.353 -1.461 -0.040 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.946 -0.124 -0.271 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.407 0.227 -0.229 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.732 -1.761 -0.055 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.130 -2.991 -0.754 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.678 -3.008 -0.940 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.075 -2.091 -2.104 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.460 -2.580 0.256 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.659 -3.406 0.412 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.616 -2.527 1.475 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.382 -2.032 2.710 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.362 -1.609 1.284 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.550 0.319 0.199 0.00 0.00 +0.121 A ATOM 18 N LIG 1 5.025 -0.519 1.117 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 3.705 -0.832 1.033 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.827 -0.362 0.060 0.00 0.00 +0.003 A ATOM 21 C LIG 1 3.393 0.489 -0.890 0.00 0.00 +0.013 A ATOM 22 C LIG 1 4.749 0.825 -0.823 0.00 0.00 +0.044 A BRANCH 17 28 ATOM 23 C LIG 1 9.809 -0.376 -0.088 0.00 0.00 +0.039 C ATOM 24 C LIG 1 9.186 0.252 1.157 0.00 0.00 +0.132 C ATOM 25 O LIG 1 9.487 1.662 1.130 0.00 0.00 -0.374 OA ATOM 26 C LIG 1 8.323 2.494 1.093 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.297 2.034 0.045 0.00 0.00 +0.134 C ATOM 28 N LIG 1 6.905 0.632 0.264 0.00 0.00 -0.311 N ATOM 29 C LIG 1 7.681 -0.086 1.286 0.00 0.00 +0.137 C ENDBRANCH 17 28 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -1.986 0.780 -0.573 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.896 0.323 -0.589 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.910 2.130 -0.801 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.916 2.844 -0.749 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.238 2.745 -1.100 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.766 3.851 -0.307 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.952 4.398 -0.639 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -5.719 3.888 -1.802 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.797 4.374 -2.119 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.140 2.849 -2.489 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -5.662 2.510 -3.289 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.930 2.291 -2.159 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.970 4.317 0.879 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.616 5.312 1.550 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.823 3.307 1.780 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6