REMARK Name = BDB016356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.064 -2.612 -0.029 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.088 -1.091 0.155 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -0.759 -0.579 -0.143 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.027 -1.228 0.143 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -0.414 0.743 0.208 0.00 0.00 +0.057 A ATOM 6 C LIG 1 -1.337 1.802 0.394 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -0.865 3.076 0.772 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.491 3.345 0.909 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.411 2.341 0.656 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -2.739 1.752 0.248 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -3.253 2.588 0.503 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -3.585 0.816 -0.246 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -4.793 1.072 -0.265 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 0.987 1.049 0.293 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.075 -0.470 -0.807 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 2.035 0.045 0.014 0.00 0.00 -0.015 A ATOM 17 C LIG 1 2.254 -0.415 -1.296 0.00 0.00 +0.031 A ATOM 18 C LIG 1 3.246 -1.361 -1.560 0.00 0.00 +0.077 A ATOM 19 CL LIG 1 3.487 -1.910 -3.173 0.00 0.00 -0.081 Cl ATOM 20 C LIG 1 4.028 -1.854 -0.518 0.00 0.00 +0.142 A ATOM 21 F LIG 1 4.986 -2.764 -0.749 0.00 0.00 -0.204 F ATOM 22 C LIG 1 3.829 -1.411 0.786 0.00 0.00 +0.040 A ATOM 23 C LIG 1 2.837 -0.465 1.051 0.00 0.00 +0.011 A ENDBRANCH 14 16 TORSDOF 1