REMARK Name = BDB031808 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.343 -0.315 -0.983 0.00 0.00 +0.154 A ATOM 2 C LIG 1 -1.071 0.297 -1.228 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -0.537 -0.389 -2.309 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.716 -0.099 -2.863 0.00 0.00 +0.031 A ATOM 5 C LIG 1 1.483 0.933 -2.290 0.00 0.00 -0.041 A ATOM 6 C LIG 1 0.938 1.647 -1.209 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.484 -1.317 -2.638 0.00 0.00 -0.275 N ATOM 8 H LIG 1 -1.448 -2.001 -3.384 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.320 1.345 -0.664 0.00 0.00 +0.014 A ATOM 10 N LIG 1 -2.575 -1.292 -1.865 0.00 0.00 -0.157 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 2.843 1.296 -2.841 0.00 0.00 +0.040 C ATOM 12 C LIG 1 4.112 1.129 -2.030 0.00 0.00 +0.081 C ATOM 13 C LIG 1 4.197 0.598 -0.626 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.189 1.324 0.045 0.00 0.00 +0.038 A ATOM 15 C LIG 1 5.534 1.098 1.360 0.00 0.00 +0.027 A ATOM 16 C LIG 1 4.849 0.086 2.041 0.00 0.00 +0.048 A ATOM 17 C LIG 1 3.852 -0.670 1.398 0.00 0.00 +0.130 A ATOM 18 N LIG 1 5.749 2.264 -0.823 0.00 0.00 -0.284 N ATOM 19 H LIG 1 6.495 2.904 -0.596 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 3.533 -0.412 0.055 0.00 0.00 +0.052 A ATOM 21 C LIG 1 5.174 2.203 -2.080 0.00 0.00 +0.228 C ATOM 22 O LIG 1 5.452 2.876 -3.057 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 3.853 0.225 -3.200 0.00 0.00 +0.031 C BRANCH 17 24 ATOM 24 O LIG 1 3.123 -1.683 1.956 0.00 0.00 -0.406 OA BRANCH 24 25 ATOM 25 C LIG 1 3.349 -1.993 3.320 0.00 0.00 +0.575 C ATOM 26 F LIG 1 4.622 -2.400 3.521 0.00 0.00 -0.133 F ATOM 27 F LIG 1 3.088 -0.930 4.111 0.00 0.00 -0.133 F ATOM 28 F LIG 1 2.525 -2.999 3.682 0.00 0.00 -0.133 F ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 5 11 BRANCH 1 29 ATOM 29 N LIG 1 -3.155 0.113 0.010 0.00 0.00 -0.279 N ATOM 30 H LIG 1 -2.837 0.856 0.619 0.00 0.00 +0.155 HD BRANCH 29 32 ATOM 31 C LIG 1 -5.053 0.281 1.479 0.00 0.00 +0.178 A ATOM 32 C LIG 1 -4.329 -0.471 0.549 0.00 0.00 +0.170 A ATOM 33 N LIG 1 -4.747 -1.688 0.151 0.00 0.00 -0.214 NA ATOM 34 C LIG 1 -5.891 -2.165 0.667 0.00 0.00 +0.128 A ATOM 35 C LIG 1 -6.328 -3.528 0.233 0.00 0.00 +0.088 C ATOM 36 N LIG 1 -6.645 -1.524 1.576 0.00 0.00 -0.237 NA ATOM 37 C LIG 1 -6.205 -0.308 1.958 0.00 0.00 +0.162 A BRANCH 31 39 ATOM 38 C LIG 1 -5.353 2.293 2.705 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -4.547 1.503 1.837 0.00 0.00 -0.490 OA ENDBRANCH 31 39 ENDBRANCH 29 32 ENDBRANCH 1 29 TORSDOF 6