REMARK Name = BDB025685 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.560 1.079 -0.143 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.137 -0.268 -0.250 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.219 -0.596 -0.151 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.195 0.400 0.046 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.752 1.728 0.145 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.634 2.725 0.324 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.402 2.070 0.057 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.624 0.047 0.147 0.00 0.00 -0.012 A ATOM 9 C LIG 1 4.429 0.544 1.179 0.00 0.00 +0.056 A ATOM 10 C LIG 1 5.782 0.193 1.278 0.00 0.00 +0.142 A ATOM 11 O LIG 1 6.442 0.752 2.353 0.00 0.00 -0.489 OA ATOM 12 C LIG 1 7.685 0.097 2.620 0.00 0.00 +0.248 C ATOM 13 C LIG 1 8.495 -0.085 1.343 0.00 0.00 +0.146 C ATOM 14 N LIG 1 7.773 -0.974 0.425 0.00 0.00 -0.327 N ATOM 15 C LIG 1 8.489 -1.354 -0.787 0.00 0.00 +0.129 C ATOM 16 C LIG 1 6.406 -0.643 0.326 0.00 0.00 +0.072 A ATOM 17 C LIG 1 5.586 -1.156 -0.688 0.00 0.00 +0.027 A ATOM 18 C LIG 1 4.227 -0.816 -0.779 0.00 0.00 +0.010 A ENDBRANCH 4 8 BRANCH 1 26 ATOM 19 C LIG 1 -4.567 2.245 2.400 0.00 0.00 +0.026 C ATOM 20 C LIG 1 -4.053 1.862 1.004 0.00 0.00 +0.071 C ATOM 21 N LIG 1 -4.491 2.833 -0.051 0.00 0.00 -0.297 NA ATOM 22 C LIG 1 -5.954 2.858 -0.171 0.00 0.00 +0.105 C ATOM 23 C LIG 1 -3.848 2.489 -1.360 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -4.148 3.530 -2.449 0.00 0.00 +0.026 C ATOM 25 C LIG 1 -2.298 2.362 -1.245 0.00 0.00 +0.123 C ATOM 26 N LIG 1 -1.954 1.348 -0.227 0.00 0.00 -0.325 N ATOM 27 C LIG 1 -2.502 1.738 1.092 0.00 0.00 +0.123 C ENDBRANCH 1 26 BRANCH 2 28 ATOM 28 N LIG 1 -1.169 -1.207 -0.458 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.081 -0.754 -0.490 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.061 -2.558 -0.666 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.037 -3.224 -0.737 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.384 -3.209 -0.887 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.428 -3.314 0.127 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.583 -3.939 -0.180 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.799 -4.513 -1.531 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.851 -5.064 -1.824 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.751 -4.382 -2.408 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -3.888 -4.792 -3.325 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.569 -3.755 -2.101 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.174 -2.758 1.494 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -4.131 -3.128 2.385 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.990 -3.158 2.013 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.178 -1.401 1.481 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5