REMARK Name = BDB010174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.653 -0.828 0.065 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.384 -1.036 -0.478 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.119 -2.325 -0.580 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.344 -2.347 -1.169 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.655 -1.093 -1.397 0.00 0.00 +0.202 A ATOM 6 N LIG 1 0.527 -3.424 -0.168 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 1.712 -3.141 0.371 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.612 -0.255 -1.038 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.301 -1.928 0.500 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 2.468 -4.271 0.953 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.532 -4.012 1.729 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.882 -3.106 1.989 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.020 -5.192 2.131 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.985 -5.357 2.859 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 3.249 -6.189 1.586 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.229 -5.536 0.818 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 -2.788 -0.660 -2.010 0.00 0.00 -0.289 N ATOM 18 C LIG 1 -3.765 0.229 -1.309 0.00 0.00 +0.132 C ATOM 19 C LIG 1 -5.177 0.127 -1.959 0.00 0.00 +0.187 C ATOM 20 O LIG 1 -5.123 0.184 -3.388 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 -4.291 -0.844 -3.948 0.00 0.00 +0.179 C ATOM 22 C LIG 1 -3.426 -1.613 -2.934 0.00 0.00 +0.136 C BRANCH 18 23 ATOM 23 C LIG 1 -3.916 0.005 0.191 0.00 0.00 -0.025 A ATOM 24 C LIG 1 -4.117 1.113 1.033 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -4.302 0.948 2.407 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.301 -0.329 2.961 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -4.126 -1.440 2.141 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.946 -1.276 0.766 0.00 0.00 +0.005 A ENDBRANCH 18 23 ENDBRANCH 5 17 BRANCH 1 29 ATOM 29 N LIG 1 2.226 0.416 0.261 0.00 0.00 -0.324 N ATOM 30 H LIG 1 1.619 1.192 0.036 0.00 0.00 +0.148 HD BRANCH 29 32 ATOM 31 C LIG 1 3.774 0.528 -1.658 0.00 0.00 +0.028 C ATOM 32 C LIG 1 3.614 0.683 -0.148 0.00 0.00 +0.072 C BRANCH 32 33 ATOM 33 C LIG 1 4.678 -0.052 0.686 0.00 0.00 +0.009 C ATOM 34 C LIG 1 6.099 0.583 0.664 0.00 0.00 +0.005 C ATOM 35 C LIG 1 6.568 -0.557 -0.253 0.00 0.00 +0.001 C ATOM 36 C LIG 1 5.355 -1.373 0.214 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 1 29 BRANCH 8 37 ATOM 37 C LIG 1 -0.480 1.132 -1.459 0.00 0.00 +0.160 C BRANCH 37 38 ATOM 38 C LIG 1 -0.776 2.172 -0.399 0.00 0.00 -0.028 A ATOM 39 C LIG 1 -0.811 1.903 0.977 0.00 0.00 +0.006 A ATOM 40 C LIG 1 -1.049 2.925 1.902 0.00 0.00 +0.013 A ATOM 41 C LIG 1 -1.264 4.242 1.476 0.00 0.00 +0.055 A ATOM 42 C LIG 1 -1.214 4.520 0.105 0.00 0.00 +0.013 A ATOM 43 C LIG 1 -0.971 3.499 -0.818 0.00 0.00 +0.006 A BRANCH 41 44 ATOM 44 C LIG 1 -1.511 5.338 2.483 0.00 0.00 +0.417 C ATOM 45 F LIG 1 -0.355 5.819 3.019 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.273 4.930 3.536 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -2.156 6.416 1.955 0.00 0.00 -0.166 F ENDBRANCH 41 44 ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 9