REMARK Name = BDB016567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.334 -0.746 0.842 0.00 0.00 -0.337 N ATOM 2 H LIG 1 -0.140 -0.313 1.642 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.668 -0.381 0.712 0.00 0.00 +0.071 A ATOM 4 C LIG 1 2.378 0.356 1.579 0.00 0.00 +0.129 A ATOM 5 CL LIG 1 1.640 0.974 3.024 0.00 0.00 -0.076 Cl ATOM 6 C LIG 1 3.810 0.706 1.353 0.00 0.00 +0.287 A ATOM 7 O LIG 1 4.425 1.417 2.147 0.00 0.00 -0.265 OA ATOM 8 N LIG 1 4.381 0.179 0.199 0.00 0.00 -0.231 N ATOM 9 C LIG 1 5.762 0.477 -0.134 0.00 0.00 +0.176 C ATOM 10 N LIG 1 3.694 -0.567 -0.724 0.00 0.00 -0.175 NA ATOM 11 C LIG 1 2.452 -0.820 -0.471 0.00 0.00 +0.157 A ENDBRANCH 1 3 BRANCH 1 18 ATOM 12 C LIG 1 -2.353 1.984 -1.551 0.00 0.00 +0.009 C ATOM 13 C LIG 1 -2.288 0.604 -0.895 0.00 0.00 +0.002 C ATOM 14 C LIG 1 -2.576 0.694 0.611 0.00 0.00 +0.087 C ATOM 15 N LIG 1 -2.524 -0.599 1.313 0.00 0.00 -0.303 NA ATOM 16 C LIG 1 -3.839 -1.011 1.799 0.00 0.00 +0.105 C ATOM 17 C LIG 1 -1.901 -1.679 0.520 0.00 0.00 +0.106 C ATOM 18 C LIG 1 -0.606 -1.202 -0.184 0.00 0.00 +0.085 C ATOM 19 C LIG 1 -0.928 -0.064 -1.169 0.00 0.00 +0.028 C ENDBRANCH 1 18 TORSDOF 2