REMARK Name = BDB025859 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.990 -0.592 0.143 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.509 -1.863 0.487 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.362 -2.892 0.623 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.848 -2.123 0.682 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.792 -1.109 0.535 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.327 0.189 0.200 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.038 0.434 0.006 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.176 -1.307 0.680 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.874 -1.673 -0.570 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.986 -3.209 -0.773 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.736 -3.443 -2.094 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.649 -3.876 0.390 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -4.750 -5.327 0.185 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.903 -3.558 1.645 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.623 -4.089 2.896 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.674 -2.031 1.863 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.119 0.165 -0.455 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.745 -0.629 0.559 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.423 -0.859 0.728 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.423 -0.333 -0.065 0.00 0.00 +0.021 A ATOM 21 C LIG 1 2.917 0.467 -1.075 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.228 0.724 -1.288 0.00 0.00 -0.222 NA BRANCH 17 29 ATOM 23 C LIG 1 9.499 0.959 1.574 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.480 1.242 0.477 0.00 0.00 +0.133 C ATOM 25 O LIG 1 9.202 1.353 -0.759 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 8.369 1.318 -1.933 0.00 0.00 +0.133 C ATOM 27 C LIG 1 8.748 0.073 -2.733 0.00 0.00 +0.039 C ATOM 28 C LIG 1 6.848 1.390 -1.658 0.00 0.00 +0.139 C ATOM 29 N LIG 1 6.460 0.395 -0.663 0.00 0.00 -0.295 N ATOM 30 C LIG 1 7.395 0.144 0.434 0.00 0.00 +0.139 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.321 1.190 0.117 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.245 0.827 0.341 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.164 2.523 -0.167 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.129 3.119 -0.431 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.449 3.272 -0.088 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.473 3.224 -1.117 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.594 3.950 -0.953 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.804 4.791 0.256 0.00 0.00 +0.252 A ATOM 39 O LIG 1 -6.850 5.423 0.363 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.767 4.787 1.184 0.00 0.00 -0.318 N ATOM 41 C LIG 1 -4.880 5.605 2.382 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -3.612 4.043 0.999 0.00 0.00 +0.102 A BRANCH 36 43 ATOM 43 C LIG 1 -4.234 2.389 -2.336 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -4.226 1.066 -2.033 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -5.204 2.556 -3.274 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.058 2.671 -2.943 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6