REMARK Name = BDB009493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.465 -1.170 1.114 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.268 -2.149 0.141 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.936 -2.334 -0.425 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.317 -2.963 -0.279 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.588 -2.800 0.272 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.820 -1.817 1.244 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.747 -1.015 1.668 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.343 0.675 2.328 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.619 -0.265 1.589 0.00 0.00 +0.247 C ATOM 10 N LIG 1 1.903 -0.526 1.160 0.00 0.00 -0.308 N ATOM 11 H LIG 1 2.035 -1.227 0.437 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 3.011 0.378 1.453 0.00 0.00 +0.076 C ATOM 13 C LIG 1 2.970 1.594 0.518 0.00 0.00 +0.041 C ATOM 14 C LIG 1 4.364 2.144 0.253 0.00 0.00 +0.110 C ATOM 15 N LIG 1 5.217 1.137 -0.375 0.00 0.00 -0.295 N ATOM 16 C LIG 1 6.239 1.576 -1.232 0.00 0.00 +0.282 C ATOM 17 O LIG 1 6.501 2.779 -1.309 0.00 0.00 -0.267 OA ATOM 18 C LIG 1 5.024 -0.254 0.038 0.00 0.00 +0.110 C ATOM 19 C LIG 1 4.351 -0.365 1.403 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 6.980 0.607 -2.027 0.00 0.00 +0.189 A ATOM 21 O LIG 1 6.488 -0.649 -2.273 0.00 0.00 -0.458 OA ATOM 22 C LIG 1 7.382 -1.290 -3.068 0.00 0.00 +0.196 A ATOM 23 C LIG 1 8.443 -0.469 -3.361 0.00 0.00 +0.042 A ATOM 24 C LIG 1 8.181 0.755 -2.702 0.00 0.00 +0.054 A ENDBRANCH 16 20 ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 -4.195 -1.639 1.851 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -5.273 -1.346 0.815 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.450 0.066 0.325 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -4.626 1.100 0.757 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -3.692 0.804 1.030 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -4.643 2.389 0.071 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -6.081 2.758 -0.279 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -6.758 1.641 -1.086 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -6.453 0.272 -0.543 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -7.285 -0.858 -1.010 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -8.196 -0.700 -1.816 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.968 -2.089 -0.500 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -7.534 -2.875 -0.804 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.991 -2.353 0.409 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5