REMARK Name = BDB000025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.511 0.222 0.644 0.00 0.00 +0.075 A ATOM 2 C LIG 1 -1.412 0.302 -0.436 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -2.781 0.565 -0.268 0.00 0.00 +0.076 A ATOM 4 C LIG 1 -3.244 0.709 1.045 0.00 0.00 +0.073 A ATOM 5 C LIG 1 -2.392 0.616 2.142 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -3.227 0.816 3.261 0.00 0.00 +0.143 A ATOM 7 N LIG 1 -4.503 1.009 2.925 0.00 0.00 -0.178 NA ATOM 8 N LIG 1 -4.491 0.956 1.575 0.00 0.00 -0.260 N ATOM 9 C LIG 1 -1.017 0.374 1.943 0.00 0.00 +0.038 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -5.743 1.119 0.839 0.00 0.00 +0.112 C ATOM 11 C LIG 1 -6.547 -0.188 0.851 0.00 0.00 +0.055 C ATOM 12 C LIG 1 -8.012 0.099 0.574 0.00 0.00 +0.162 C ATOM 13 O LIG 1 -8.609 0.974 1.530 0.00 0.00 -0.380 OA ATOM 14 C LIG 1 -7.707 1.834 2.228 0.00 0.00 +0.162 C ATOM 15 C LIG 1 -6.575 2.314 1.334 0.00 0.00 +0.055 C ENDBRANCH 8 10 BRANCH 1 16 ATOM 16 N LIG 1 0.844 -0.068 0.380 0.00 0.00 -0.311 N ATOM 17 H LIG 1 1.129 0.243 -0.555 0.00 0.00 +0.152 HD BRANCH 16 26 ATOM 18 N LIG 1 5.143 0.328 -0.168 0.00 0.00 -0.222 N ATOM 19 C LIG 1 3.781 0.363 -0.314 0.00 0.00 +0.256 C ATOM 20 O LIG 1 3.120 0.894 -1.187 0.00 0.00 -0.269 OA ATOM 21 C LIG 1 3.209 -0.386 0.805 0.00 0.00 +0.071 A ATOM 22 C LIG 1 4.269 -0.876 1.548 0.00 0.00 +0.051 A ATOM 23 C LIG 1 4.082 -1.651 2.672 0.00 0.00 +0.014 A ATOM 24 C LIG 1 2.764 -1.926 3.034 0.00 0.00 +0.003 A ATOM 25 C LIG 1 1.683 -1.418 2.277 0.00 0.00 +0.024 A ATOM 26 C LIG 1 1.881 -0.625 1.137 0.00 0.00 +0.044 A ATOM 27 C LIG 1 5.504 -0.432 0.907 0.00 0.00 +0.255 C ATOM 28 O LIG 1 6.617 -0.739 1.287 0.00 0.00 -0.270 OA BRANCH 18 35 ATOM 29 O LIG 1 10.105 0.049 -1.714 0.00 0.00 -0.275 OA ATOM 30 C LIG 1 8.926 0.344 -1.537 0.00 0.00 +0.219 C ATOM 31 N LIG 1 7.950 -0.157 -2.355 0.00 0.00 -0.255 N ATOM 32 H LIG 1 8.290 -0.896 -2.957 0.00 0.00 +0.158 HD ATOM 33 C LIG 1 6.637 -0.278 -1.986 0.00 0.00 +0.240 C ATOM 34 O LIG 1 5.977 -1.256 -2.334 0.00 0.00 -0.273 OA ATOM 35 C LIG 1 6.061 0.874 -1.158 0.00 0.00 +0.171 C ATOM 36 C LIG 1 7.120 1.828 -0.603 0.00 0.00 +0.041 C ATOM 37 C LIG 1 8.474 1.181 -0.366 0.00 0.00 +0.098 C ENDBRANCH 18 35 ENDBRANCH 16 26 ENDBRANCH 1 16 BRANCH 2 38 ATOM 38 O LIG 1 -0.897 0.181 -1.716 0.00 0.00 -0.454 OA BRANCH 38 39 ATOM 39 C LIG 1 -1.387 -0.855 -2.481 0.00 0.00 +0.131 A ATOM 40 C LIG 1 -1.628 -0.578 -3.826 0.00 0.00 +0.084 A ATOM 41 C LIG 1 -2.098 -1.591 -4.653 0.00 0.00 +0.127 A ATOM 42 F LIG 1 -2.345 -1.326 -5.943 0.00 0.00 -0.205 F ATOM 43 C LIG 1 -2.317 -2.875 -4.165 0.00 0.00 +0.038 A ATOM 44 C LIG 1 -2.054 -3.157 -2.825 0.00 0.00 +0.006 A ATOM 45 C LIG 1 -1.582 -2.148 -1.982 0.00 0.00 +0.046 A ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 6