REMARK Name = BDB013163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.385 0.166 0.050 0.00 0.00 +0.049 A ATOM 2 C LIG 1 1.498 -0.166 -1.012 0.00 0.00 +0.173 A ATOM 3 N LIG 1 0.151 -0.121 -0.748 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -0.462 -0.414 -1.930 0.00 0.00 +0.232 A ATOM 5 N LIG 1 0.441 -0.672 -2.849 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -0.372 0.218 0.502 0.00 0.00 +0.203 A ATOM 7 N LIG 1 0.438 0.560 1.467 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 1.681 -0.517 -2.269 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 1.796 0.523 1.215 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 6.599 0.253 -0.408 0.00 0.00 +0.217 A ATOM 11 N LIG 1 5.824 0.750 -1.393 0.00 0.00 -0.221 NA ATOM 12 C LIG 1 4.481 0.694 -1.209 0.00 0.00 +0.126 A ATOM 13 C LIG 1 3.859 0.186 -0.073 0.00 0.00 +0.041 A ATOM 14 C LIG 1 4.718 -0.321 0.905 0.00 0.00 +0.138 A ATOM 15 F LIG 1 4.220 -0.864 2.027 0.00 0.00 -0.205 F ATOM 16 C LIG 1 6.097 -0.292 0.754 0.00 0.00 +0.106 A BRANCH 10 18 ATOM 17 C LIG 1 8.415 0.821 -1.770 0.00 0.00 +0.279 C ATOM 18 O LIG 1 7.973 0.273 -0.531 0.00 0.00 -0.480 OA ENDBRANCH 10 18 ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 N LIG 1 -1.732 0.227 0.726 0.00 0.00 -0.310 N ATOM 20 H LIG 1 -1.880 0.697 1.621 0.00 0.00 +0.149 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.454 -1.044 0.778 0.00 0.00 +0.143 C BRANCH 21 22 ATOM 22 C LIG 1 -3.889 -0.803 1.149 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -4.762 -0.068 0.351 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -4.519 0.660 -0.918 0.00 0.00 +0.080 C ATOM 25 C LIG 1 -5.965 0.949 -1.323 0.00 0.00 +0.234 C ATOM 26 O LIG 1 -6.801 0.904 -0.145 0.00 0.00 -0.491 OA ATOM 27 C LIG 1 -6.080 0.144 0.738 0.00 0.00 +0.124 A ATOM 28 C LIG 1 -6.593 -0.356 1.918 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -5.743 -1.109 2.726 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -4.413 -1.326 2.339 0.00 0.00 +0.129 A ATOM 31 F LIG 1 -3.627 -2.051 3.147 0.00 0.00 -0.205 F ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 6 19 TORSDOF 5