REMARK Name = BDB053537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.564 0.084 0.034 0.00 0.00 +0.151 A ATOM 2 C LIG 1 3.647 -0.163 1.083 0.00 0.00 +0.012 A ATOM 3 C LIG 1 3.821 -0.369 2.547 0.00 0.00 +0.044 C ATOM 4 C LIG 1 2.529 0.009 3.318 0.00 0.00 +0.043 C ATOM 5 C LIG 1 1.249 -0.367 2.607 0.00 0.00 -0.001 A ATOM 6 C LIG 1 1.173 -0.445 1.224 0.00 0.00 +0.097 A ATOM 7 N LIG 1 0.060 -0.723 0.533 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -1.054 -0.925 1.252 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -1.092 -0.843 2.592 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 0.053 -0.565 3.244 0.00 0.00 +0.120 A ATOM 11 C LIG 1 2.401 -0.227 0.484 0.00 0.00 +0.091 A ATOM 12 N LIG 1 2.607 -0.007 -0.846 0.00 0.00 -0.264 N ATOM 13 C LIG 1 1.614 0.082 -1.893 0.00 0.00 +0.173 C ATOM 14 N LIG 1 3.915 0.182 -1.152 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 6.579 0.540 -1.114 0.00 0.00 -0.280 N ATOM 16 H LIG 1 5.905 0.373 -1.858 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 6.035 0.206 0.116 0.00 0.00 +0.269 C ATOM 18 O LIG 1 6.644 -0.037 1.154 0.00 0.00 -0.268 OA BRANCH 15 20 ATOM 19 C LIG 1 8.913 1.252 -0.688 0.00 0.00 -0.026 A ATOM 20 C LIG 1 7.950 0.540 -1.440 0.00 0.00 +0.040 A ATOM 21 C LIG 1 8.343 -0.149 -2.618 0.00 0.00 -0.026 A ATOM 22 C LIG 1 9.703 -0.187 -2.974 0.00 0.00 +0.005 A ATOM 23 C LIG 1 10.658 0.459 -2.204 0.00 0.00 +0.001 A ATOM 24 C LIG 1 10.265 1.177 -1.079 0.00 0.00 +0.005 A BRANCH 19 26 ATOM 25 C LIG 1 7.811 3.433 -0.010 0.00 0.00 +0.009 C ATOM 26 C LIG 1 8.592 2.205 0.448 0.00 0.00 +0.033 C ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 C LIG 1 7.377 -0.920 -3.496 0.00 0.00 +0.033 C ATOM 28 C LIG 1 7.025 -2.281 -2.912 0.00 0.00 +0.009 C ENDBRANCH 21 27 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 8 29 ATOM 29 N LIG 1 -2.183 -1.246 0.505 0.00 0.00 -0.281 N ATOM 30 H LIG 1 -1.917 -1.302 -0.468 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.528 -1.477 0.820 0.00 0.00 +0.076 A ATOM 32 C LIG 1 -4.418 -1.949 -0.174 0.00 0.00 +0.152 A ATOM 33 C LIG 1 -5.747 -2.282 0.121 0.00 0.00 +0.061 A ATOM 34 C LIG 1 -6.226 -2.093 1.413 0.00 0.00 +0.040 A ATOM 35 C LIG 1 -5.373 -1.636 2.417 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -4.042 -1.321 2.115 0.00 0.00 +0.028 A BRANCH 34 37 ATOM 37 C LIG 1 -7.584 -2.516 1.773 0.00 0.00 +0.244 C ATOM 38 N LIG 1 -8.644 -1.661 1.659 0.00 0.00 -0.308 N ATOM 39 H LIG 1 -9.506 -2.111 1.948 0.00 0.00 +0.149 HD ATOM 40 O LIG 1 -7.750 -3.657 2.200 0.00 0.00 -0.270 OA BRANCH 38 41 ATOM 41 C LIG 1 -8.771 -0.294 1.149 0.00 0.00 +0.076 C ATOM 42 C LIG 1 -8.633 -0.196 -0.378 0.00 0.00 +0.037 C ATOM 43 C LIG 1 -7.776 0.996 -0.804 0.00 0.00 +0.086 C ATOM 44 N LIG 1 -8.122 2.252 -0.131 0.00 0.00 -0.305 NA ATOM 45 C LIG 1 -9.267 2.917 -0.747 0.00 0.00 +0.104 C ATOM 46 C LIG 1 -8.267 2.142 1.327 0.00 0.00 +0.086 C ATOM 47 C LIG 1 -7.934 0.755 1.887 0.00 0.00 +0.037 C ENDBRANCH 38 41 ENDBRANCH 34 37 BRANCH 32 48 ATOM 48 O LIG 1 -4.001 -2.206 -1.457 0.00 0.00 -0.404 OA BRANCH 48 49 ATOM 49 C LIG 1 -3.883 -1.013 -2.225 0.00 0.00 +0.575 C ATOM 50 F LIG 1 -4.003 -1.331 -3.534 0.00 0.00 -0.133 F ATOM 51 F LIG 1 -2.658 -0.469 -2.039 0.00 0.00 -0.133 F ATOM 52 F LIG 1 -4.835 -0.104 -1.923 0.00 0.00 -0.133 F ENDBRANCH 48 49 ENDBRANCH 32 48 ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 10