REMARK Name = BDB025659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.494 -0.771 -0.119 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.767 0.436 -0.004 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.602 0.414 0.286 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.287 -0.801 0.478 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.541 -1.985 0.361 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.131 -3.176 0.542 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.822 -1.980 0.067 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.495 -3.105 1.035 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.591 -2.533 -0.066 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.393 -2.116 -1.247 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.912 -3.265 -1.993 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.640 -1.204 -2.150 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.317 0.171 -2.098 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.122 -1.092 -1.848 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.874 -0.701 -0.441 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.768 -1.359 0.544 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.724 -0.821 0.791 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.618 -1.722 0.247 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.944 -1.756 0.515 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.432 -0.852 1.376 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.649 0.065 1.966 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.331 0.061 1.663 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.776 -0.879 1.692 0.00 0.00 -0.295 N ATOM 24 C LIG 1 7.310 0.276 2.417 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.817 0.086 2.645 0.00 0.00 +0.179 C ATOM 26 O LIG 1 9.574 -0.046 1.430 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.814 -0.599 0.343 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.703 -1.564 0.786 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.524 1.612 -0.188 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.501 1.404 -0.368 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.109 2.922 -0.148 0.00 0.00 +0.252 C ATOM 32 O LIG 1 0.042 3.294 0.035 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.176 3.898 -0.356 0.00 0.00 +0.086 A ATOM 34 C LIG 1 -2.022 5.315 -0.505 0.00 0.00 +0.177 A ATOM 35 N LIG 1 -3.220 5.916 -0.675 0.00 0.00 -0.169 NA ATOM 36 N LIG 1 -4.108 4.918 -0.626 0.00 0.00 -0.283 N ATOM 37 H LIG 1 -5.093 5.147 -0.725 0.00 0.00 +0.188 HD ATOM 38 C LIG 1 -3.542 3.693 -0.441 0.00 0.00 +0.118 A BRANCH 34 39 ATOM 39 C LIG 1 -0.720 6.084 -0.490 0.00 0.00 +0.437 C ATOM 40 F LIG 1 -0.894 7.415 -0.727 0.00 0.00 -0.164 F ATOM 41 F LIG 1 -0.084 5.997 0.709 0.00 0.00 -0.164 F ATOM 42 F LIG 1 0.144 5.646 -1.445 0.00 0.00 -0.164 F ENDBRANCH 34 39 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6