REMARK Name = BDB064418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.309 1.161 0.206 0.00 0.00 +0.161 A ATOM 2 C LIG 1 -1.238 -0.029 0.361 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.715 -1.302 0.089 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.519 -2.439 0.203 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -2.849 -2.308 0.600 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.370 -1.047 0.892 0.00 0.00 +0.001 A ATOM 7 C LIG 1 0.675 -1.377 -0.283 0.00 0.00 +0.186 A ATOM 8 N LIG 1 1.411 -0.222 -0.347 0.00 0.00 -0.187 N ATOM 9 C LIG 1 2.671 -0.614 -0.705 0.00 0.00 +0.258 A ATOM 10 N LIG 1 2.694 -1.929 -0.853 0.00 0.00 -0.123 NA ATOM 11 N LIG 1 1.432 -2.409 -0.585 0.00 0.00 -0.127 NA ATOM 12 C LIG 1 -2.568 0.093 0.778 0.00 0.00 +0.012 A ATOM 13 N LIG 1 0.962 1.041 -0.118 0.00 0.00 -0.146 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 3.752 0.363 -0.876 0.00 0.00 +0.454 C ATOM 15 F LIG 1 3.472 1.285 -1.837 0.00 0.00 -0.163 F ATOM 16 F LIG 1 4.927 -0.217 -1.243 0.00 0.00 -0.163 F ATOM 17 F LIG 1 4.013 1.056 0.265 0.00 0.00 -0.163 F ENDBRANCH 9 14 BRANCH 1 18 ATOM 18 N LIG 1 -0.833 2.435 0.417 0.00 0.00 -0.266 N ATOM 19 H LIG 1 -1.826 2.579 0.238 0.00 0.00 +0.168 HD BRANCH 18 20 ATOM 20 N LIG 1 0.006 3.531 0.092 0.00 0.00 -0.255 NA ATOM 21 H LIG 1 0.870 3.443 0.640 0.00 0.00 +0.140 HD ATOM 22 H LIG 1 0.339 3.424 -0.872 0.00 0.00 +0.140 HD ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 3