REMARK Name = BDB028124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.530 0.797 2.957 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -2.591 1.224 1.517 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -2.248 2.546 1.150 0.00 0.00 +0.116 A ATOM 4 N LIG 1 -1.844 3.599 1.930 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 -1.704 4.664 1.154 0.00 0.00 -0.065 NA ATOM 6 N LIG 1 -1.972 4.285 -0.109 0.00 0.00 -0.244 N ATOM 7 C LIG 1 -2.044 5.282 -1.155 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -0.887 5.269 -2.156 0.00 0.00 +0.023 C ATOM 9 C LIG 1 0.349 6.081 -1.743 0.00 0.00 +0.002 C ATOM 10 C LIG 1 1.158 5.559 -0.553 0.00 0.00 +0.000 C ATOM 11 C LIG 1 1.681 4.139 -0.759 0.00 0.00 +0.005 C ATOM 12 C LIG 1 2.427 3.619 0.476 0.00 0.00 +0.035 C ATOM 13 C LIG 1 2.955 2.216 0.277 0.00 0.00 -0.047 A ATOM 14 C LIG 1 2.081 1.179 -0.086 0.00 0.00 +0.013 A ATOM 15 C LIG 1 2.574 -0.122 -0.289 0.00 0.00 +0.001 A ATOM 16 C LIG 1 1.963 -1.331 -0.684 0.00 0.00 +0.041 A ATOM 17 C LIG 1 2.903 -2.348 -0.634 0.00 0.00 +0.106 A ATOM 18 C LIG 1 2.708 -3.764 -0.897 0.00 0.00 +0.263 C ATOM 19 N LIG 1 1.611 -4.402 -0.324 0.00 0.00 -0.292 N ATOM 20 C LIG 1 0.709 -3.830 0.670 0.00 0.00 +0.143 C ATOM 21 C LIG 1 -0.623 -3.483 0.044 0.00 0.00 -0.027 A ATOM 22 C LIG 1 -1.052 -4.129 -1.132 0.00 0.00 -0.041 A ATOM 23 C LIG 1 -2.283 -3.775 -1.692 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.087 -2.800 -1.091 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -2.683 -2.159 0.089 0.00 0.00 -0.039 A ATOM 26 C LIG 1 -3.514 -1.083 0.794 0.00 0.00 +0.060 C ATOM 27 C LIG 1 -0.157 -5.125 -1.846 0.00 0.00 +0.054 C ATOM 28 C LIG 1 -1.444 -2.519 0.647 0.00 0.00 +0.009 A ATOM 29 C LIG 1 1.049 -5.564 -1.001 0.00 0.00 +0.113 C ATOM 30 O LIG 1 3.505 -4.391 -1.594 0.00 0.00 -0.268 OA ATOM 31 N LIG 1 4.119 -1.729 -0.378 0.00 0.00 -0.331 N ATOM 32 C LIG 1 3.928 -0.385 -0.099 0.00 0.00 +0.050 A ATOM 33 C LIG 1 4.816 0.629 0.293 0.00 0.00 +0.027 A ATOM 34 C LIG 1 4.308 1.925 0.473 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -2.322 2.959 -0.174 0.00 0.00 +0.089 A ATOM 36 C LIG 1 -2.707 2.111 -1.211 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -3.053 0.802 -0.854 0.00 0.00 +0.007 A ATOM 38 C LIG 1 -3.021 0.343 0.482 0.00 0.00 -0.034 A ENDROOT BRANCH 26 39 ATOM 39 C LIG 1 -5.035 -1.158 0.572 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 -5.600 -2.427 1.142 0.00 0.00 +0.306 C ATOM 41 O LIG 1 -5.392 -2.882 2.254 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 -6.435 -3.053 0.289 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 -6.730 -3.845 0.786 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 26 39 BRANCH 31 44 ATOM 44 C LIG 1 5.417 -2.387 -0.415 0.00 0.00 +0.194 C BRANCH 44 45 ATOM 45 C LIG 1 5.686 -3.229 0.811 0.00 0.00 +0.360 C ATOM 46 F LIG 1 5.878 -2.430 1.893 0.00 0.00 -0.207 F ATOM 47 F LIG 1 6.851 -3.911 0.641 0.00 0.00 -0.207 F ENDBRANCH 44 45 ENDBRANCH 31 44 TORSDOF 5