REMARK Name = BDB025876 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.270 -0.997 0.392 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.601 0.098 0.183 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.981 -0.101 0.083 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.530 -1.390 0.186 0.00 0.00 +0.015 A ATOM 5 C LIG 1 1.651 -2.464 0.399 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.120 -3.715 0.531 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.273 -2.279 0.497 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.133 0.580 1.614 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.759 -0.901 1.823 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.411 -1.864 0.893 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.750 -1.484 0.471 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.496 -2.363 -0.166 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.181 -2.993 -1.386 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.444 -1.320 -0.640 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.661 -0.741 0.484 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.210 -1.043 1.828 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.994 -1.581 0.093 0.00 0.00 -0.039 C ATOM 18 C LIG 1 4.891 -0.618 0.837 0.00 0.00 +0.051 C ATOM 19 C LIG 1 6.343 -1.123 0.934 0.00 0.00 +0.089 C ATOM 20 N LIG 1 6.869 -1.693 -0.317 0.00 0.00 -0.301 NA ATOM 21 C LIG 1 7.019 -0.679 -1.359 0.00 0.00 +0.105 C ATOM 22 C LIG 1 6.018 -2.805 -0.764 0.00 0.00 +0.111 C ATOM 23 C LIG 1 4.536 -2.576 -0.635 0.00 0.00 -0.007 C ENDBRANCH 4 17 BRANCH 2 24 ATOM 24 N LIG 1 -0.030 1.355 0.082 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -1.044 1.269 0.157 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 0.547 2.589 -0.065 0.00 0.00 +0.250 C ATOM 27 O LIG 1 1.740 2.858 -0.102 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -0.463 3.685 -0.119 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -1.420 3.863 -1.207 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -2.286 4.895 -1.156 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -2.275 5.841 -0.013 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -3.070 6.769 0.049 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -1.324 5.602 0.947 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -1.301 6.259 1.719 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -0.433 4.558 0.901 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 -1.386 2.917 -2.366 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -2.178 3.332 -3.391 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.840 1.688 -2.014 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.143 2.761 -2.880 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 5