REMARK Name = BDB001810 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.412 -2.307 -0.875 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -0.403 -1.329 -0.315 0.00 0.00 -0.163 N ATOM 3 C LIG 1 -1.765 -1.408 0.028 0.00 0.00 +0.281 C ATOM 4 O LIG 1 -2.336 -2.485 -0.166 0.00 0.00 -0.265 OA ATOM 5 N LIG 1 0.327 -0.200 -0.104 0.00 0.00 -0.141 NA ATOM 6 C LIG 1 1.535 -0.538 -0.577 0.00 0.00 +0.185 A ATOM 7 N LIG 1 1.610 -1.817 -1.069 0.00 0.00 -0.193 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.572 -0.299 0.610 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.372 1.044 0.263 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -3.174 2.041 0.828 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -4.178 1.693 1.724 0.00 0.00 +0.123 A ATOM 12 F LIG 1 -4.945 2.651 2.260 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.402 0.365 2.065 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.603 -0.634 1.504 0.00 0.00 +0.016 A ENDBRANCH 3 8 BRANCH 6 15 ATOM 15 C LIG 1 2.680 0.358 -0.586 0.00 0.00 +0.039 A ATOM 16 C LIG 1 2.599 1.649 -0.071 0.00 0.00 +0.122 A ATOM 17 N LIG 1 3.629 2.534 -0.054 0.00 0.00 -0.263 NA ATOM 18 C LIG 1 4.800 2.108 -0.573 0.00 0.00 +0.111 A ATOM 19 C LIG 1 4.990 0.845 -1.108 0.00 0.00 +0.020 A ATOM 20 C LIG 1 3.912 -0.040 -1.113 0.00 0.00 +0.014 A ENDBRANCH 6 15 BRANCH 1 21 ATOM 21 N LIG 1 0.008 -3.557 -1.163 0.00 0.00 -0.327 N ATOM 22 H LIG 1 0.578 -4.125 -1.781 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -0.986 -3.791 -1.146 0.00 0.00 +0.145 HD ENDBRANCH 1 21 TORSDOF 3