REMARK Name = BDB025652 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.570 0.571 0.440 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.802 0.878 0.250 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.223 2.203 0.082 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.304 3.268 0.100 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -1.044 2.943 0.300 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -1.976 3.909 0.316 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.479 1.627 0.469 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -2.922 -2.123 -2.428 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.752 -1.385 -1.089 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.618 -1.948 -0.008 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.038 -1.884 -0.375 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.356 -1.225 1.273 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.105 -1.860 2.458 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.848 -1.169 1.662 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -0.942 -0.779 0.567 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -1.245 -1.449 -0.715 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 0.754 4.661 -0.081 0.00 0.00 +0.003 A ATOM 18 C LIG 1 0.275 5.709 0.710 0.00 0.00 +0.119 A ATOM 19 N LIG 1 0.656 7.007 0.602 0.00 0.00 -0.263 NA ATOM 20 C LIG 1 1.566 7.291 -0.351 0.00 0.00 +0.111 A ATOM 21 C LIG 1 2.110 6.341 -1.196 0.00 0.00 +0.020 A ATOM 22 C LIG 1 1.698 5.016 -1.056 0.00 0.00 +0.011 A ENDBRANCH 4 17 BRANCH 2 23 ATOM 23 N LIG 1 1.684 -0.225 0.281 0.00 0.00 -0.280 N ATOM 24 H LIG 1 1.194 -1.097 0.472 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 3.048 -0.229 0.137 0.00 0.00 +0.250 C ATOM 26 O LIG 1 3.786 0.722 -0.080 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 3.629 -1.589 0.308 0.00 0.00 +0.065 A ATOM 28 C LIG 1 3.581 -2.622 -0.719 0.00 0.00 +0.073 A ATOM 29 C LIG 1 4.149 -3.820 -0.472 0.00 0.00 +0.083 A ATOM 30 C LIG 1 4.815 -4.089 0.827 0.00 0.00 +0.249 A ATOM 31 O LIG 1 5.323 -5.176 1.065 0.00 0.00 -0.268 OA ATOM 32 N LIG 1 4.817 -3.048 1.722 0.00 0.00 -0.328 N ATOM 33 H LIG 1 5.287 -3.226 2.604 0.00 0.00 +0.168 HD ATOM 34 C LIG 1 4.248 -1.823 1.476 0.00 0.00 +0.099 A BRANCH 28 35 ATOM 35 C LIG 1 2.920 -2.309 -2.024 0.00 0.00 +0.418 C ATOM 36 F LIG 1 3.072 -3.310 -2.931 0.00 0.00 -0.166 F ATOM 37 F LIG 1 1.582 -2.138 -1.872 0.00 0.00 -0.166 F ATOM 38 F LIG 1 3.407 -1.187 -2.603 0.00 0.00 -0.166 F ENDBRANCH 28 35 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 5