REMARK Name = BDB025707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.775 -1.211 0.350 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.321 0.108 0.607 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.051 0.381 0.638 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.006 -0.625 0.383 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.527 -1.914 0.108 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.387 -2.909 -0.159 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.834 -2.211 0.093 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.741 -4.895 0.998 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.273 -3.723 0.125 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.401 -3.205 -0.696 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.704 -4.093 -1.822 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.165 -1.816 -1.176 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.119 -0.877 -0.426 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.696 -1.330 -1.069 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.169 -1.451 0.313 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.651 -2.640 1.054 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.444 -0.327 0.422 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.005 0.809 -0.123 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.320 1.117 -0.082 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.150 0.260 0.531 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.707 -0.881 1.082 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.383 -1.146 1.017 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.507 0.569 0.612 0.00 0.00 -0.295 N ATOM 24 C LIG 1 6.994 1.508 -0.413 0.00 0.00 +0.136 C ATOM 25 C LIG 1 7.229 0.770 -1.744 0.00 0.00 +0.179 C ATOM 26 O LIG 1 8.131 -0.341 -1.575 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 7.622 -1.272 -0.601 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.401 -0.591 0.762 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -2.339 1.047 0.872 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.245 0.598 1.012 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.398 2.401 0.963 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -3.419 2.956 1.369 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.256 3.232 0.516 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -0.940 3.460 -0.886 0.00 0.00 +0.073 A ATOM 35 C LIG 1 0.109 4.246 -1.193 0.00 0.00 +0.083 A ATOM 36 C LIG 1 0.938 4.885 -0.136 0.00 0.00 +0.252 A ATOM 37 O LIG 1 1.901 5.565 -0.472 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 0.532 4.650 1.174 0.00 0.00 -0.318 N ATOM 39 C LIG 1 1.276 5.259 2.268 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -0.553 3.846 1.480 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -1.816 2.859 -1.942 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.534 3.349 -3.179 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.657 1.514 -2.030 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.134 3.093 -1.732 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6