REMARK Name = BDB060555 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.140 -1.198 -0.804 0.00 0.00 -0.455 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.995 -0.747 0.184 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -3.018 0.166 -0.158 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -3.921 0.597 0.848 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -4.931 1.522 0.484 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -5.051 2.005 -0.820 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -4.166 1.578 -1.798 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.765 0.077 2.160 0.00 0.00 +0.049 A ATOM 9 CL LIG 1 -4.814 0.539 3.462 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -2.757 -0.842 2.466 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -3.161 0.669 -1.470 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -1.877 -1.262 1.478 0.00 0.00 +0.048 A ENDBRANCH 1 2 BRANCH 1 16 ATOM 13 C LIG 1 2.985 -0.617 -0.392 0.00 0.00 +0.034 A ATOM 14 C LIG 1 2.107 0.385 0.028 0.00 0.00 +0.027 A ATOM 15 C LIG 1 0.723 0.216 -0.093 0.00 0.00 +0.048 A ATOM 16 C LIG 1 0.206 -0.966 -0.623 0.00 0.00 +0.129 A ATOM 17 C LIG 1 1.073 -1.962 -1.066 0.00 0.00 +0.048 A ATOM 18 C LIG 1 2.455 -1.791 -0.945 0.00 0.00 +0.027 A BRANCH 13 21 ATOM 19 C LIG 1 6.617 0.256 0.132 0.00 0.00 +0.109 C ATOM 20 C LIG 1 5.134 0.519 0.213 0.00 0.00 +0.214 C ATOM 21 N LIG 1 4.389 -0.524 -0.306 0.00 0.00 -0.286 N ATOM 22 H LIG 1 4.906 -1.321 -0.656 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 4.708 1.551 0.720 0.00 0.00 -0.276 OA ENDBRANCH 13 21 ENDBRANCH 1 16 TORSDOF 3