REMARK Name = BDB016349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.320 -1.327 0.105 0.00 0.00 +0.005 A ATOM 2 C LIG 1 -0.983 -0.725 0.110 0.00 0.00 +0.057 A ATOM 3 N LIG 1 -1.062 0.633 0.483 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.177 1.106 0.301 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -2.208 1.430 0.074 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -3.391 1.048 0.935 0.00 0.00 +0.118 C ATOM 7 C LIG 1 -4.121 -0.099 0.319 0.00 0.00 +0.219 C ATOM 8 N LIG 1 -3.463 -1.199 -0.123 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -4.125 -1.901 -0.431 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -5.353 -0.089 0.245 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -1.861 2.907 0.287 0.00 0.00 +0.028 C ATOM 12 C LIG 1 -2.098 -1.554 -0.170 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -1.888 -2.896 -0.550 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -0.616 -3.453 -0.602 0.00 0.00 +0.003 A ATOM 15 C LIG 1 0.479 -2.676 -0.263 0.00 0.00 +0.010 A ENDROOT BRANCH 1 22 ATOM 16 C LIG 1 4.620 0.866 -1.268 0.00 0.00 +0.045 C ATOM 17 C LIG 1 3.646 0.502 -0.183 0.00 0.00 -0.032 A ATOM 18 C LIG 1 3.862 0.854 1.157 0.00 0.00 +0.044 A ATOM 19 CL LIG 1 5.266 1.734 1.645 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 2.938 0.500 2.142 0.00 0.00 +0.021 A ATOM 21 C LIG 1 1.786 -0.210 1.799 0.00 0.00 +0.010 A ATOM 22 C LIG 1 1.540 -0.576 0.469 0.00 0.00 -0.016 A ATOM 23 C LIG 1 2.481 -0.213 -0.511 0.00 0.00 +0.013 A ENDBRANCH 1 22 TORSDOF 1