REMARK Name = BDB023626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.842 -0.608 1.111 0.00 0.00 -0.268 N ATOM 2 C LIG 1 -3.020 -0.974 -0.079 0.00 0.00 +0.132 C ATOM 3 C LIG 1 -2.701 0.361 -0.769 0.00 0.00 +0.069 C ATOM 4 C LIG 1 -2.488 0.099 -2.255 0.00 0.00 +0.225 C ATOM 5 O LIG 1 -3.387 0.167 -3.089 0.00 0.00 -0.275 OA ATOM 6 N LIG 1 -1.242 -0.332 -2.627 0.00 0.00 -0.285 N ATOM 7 H LIG 1 -1.149 -0.629 -3.591 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 -0.113 -0.278 -1.806 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -0.187 0.366 -0.570 0.00 0.00 -0.025 A ATOM 10 C LIG 1 0.958 0.439 0.236 0.00 0.00 +0.014 A ATOM 11 C LIG 1 2.173 -0.136 -0.174 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.216 -0.774 -1.425 0.00 0.00 +0.010 A ATOM 13 C LIG 1 1.084 -0.838 -2.242 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -1.467 1.046 -0.162 0.00 0.00 +0.054 C ATOM 15 C LIG 1 -3.983 1.155 -0.492 0.00 0.00 +0.037 C ATOM 16 C LIG 1 -4.371 0.766 0.928 0.00 0.00 +0.117 C ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 3.371 -0.065 0.679 0.00 0.00 -0.018 A ATOM 18 C LIG 1 4.061 -1.232 1.054 0.00 0.00 +0.011 A ATOM 19 C LIG 1 5.198 -1.165 1.865 0.00 0.00 +0.039 A ATOM 20 C LIG 1 5.652 0.071 2.305 0.00 0.00 +0.123 A ATOM 21 F LIG 1 6.742 0.135 3.081 0.00 0.00 -0.205 F ATOM 22 C LIG 1 4.993 1.240 1.952 0.00 0.00 +0.039 A ATOM 23 C LIG 1 3.856 1.172 1.142 0.00 0.00 +0.011 A ENDBRANCH 11 17 BRANCH 1 25 ATOM 24 N LIG 1 -4.715 -2.248 2.778 0.00 0.00 -0.174 NA ATOM 25 C LIG 1 -4.310 -1.488 2.005 0.00 0.00 +0.169 C ENDBRANCH 1 25 TORSDOF 2