REMARK Name = BDB025336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.054 0.251 -0.095 0.00 0.00 -0.313 N ATOM 2 C LIG 1 -0.733 -0.552 0.790 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -2.093 -0.394 0.560 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.976 -1.124 1.376 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.425 -1.952 2.353 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -1.045 -2.023 2.471 0.00 0.00 +0.113 A ATOM 7 C LIG 1 -2.234 0.526 -0.522 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -3.352 1.062 -1.200 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -3.156 1.958 -2.255 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -1.871 2.316 -2.631 0.00 0.00 +0.125 A ATOM 11 F LIG 1 -1.703 3.174 -3.646 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -0.744 1.809 -1.984 0.00 0.00 +0.064 A ATOM 13 N LIG 1 -0.152 -1.350 1.712 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -0.946 0.910 -0.923 0.00 0.00 +0.055 A ENDROOT BRANCH 1 21 ATOM 15 O LIG 1 5.162 -0.849 1.115 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.021 -0.579 0.750 0.00 0.00 +0.219 C ATOM 17 N LIG 1 3.150 0.085 1.575 0.00 0.00 -0.255 N ATOM 18 H LIG 1 3.530 0.364 2.469 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 1.996 0.732 1.199 0.00 0.00 +0.242 C ATOM 20 O LIG 1 1.552 1.646 1.894 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 1.404 0.344 -0.152 0.00 0.00 +0.176 C ATOM 22 C LIG 1 2.025 -0.943 -0.705 0.00 0.00 +0.044 C ATOM 23 C LIG 1 3.540 -0.850 -0.655 0.00 0.00 +0.099 C ENDBRANCH 1 21 TORSDOF 1