REMARK Name = BDB017180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.395 0.201 -1.101 0.00 0.00 +0.167 C ATOM 2 O LIG 1 1.037 0.414 -2.259 0.00 0.00 -0.292 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.818 0.491 -0.732 0.00 0.00 +0.019 A ATOM 4 C LIG 1 3.649 1.059 -1.712 0.00 0.00 +0.032 A ATOM 5 C LIG 1 4.988 1.354 -1.432 0.00 0.00 +0.060 A ATOM 6 CL LIG 1 5.940 2.052 -2.693 0.00 0.00 -0.082 Cl ATOM 7 C LIG 1 5.510 1.082 -0.164 0.00 0.00 +0.059 A ATOM 8 CL LIG 1 7.151 1.417 0.258 0.00 0.00 -0.082 Cl ATOM 9 C LIG 1 4.689 0.516 0.815 0.00 0.00 +0.022 A ATOM 10 C LIG 1 3.350 0.221 0.534 0.00 0.00 +0.013 A ENDBRANCH 1 3 BRANCH 1 13 ATOM 11 N LIG 1 -1.958 -0.519 0.589 0.00 0.00 -0.302 NA ATOM 12 C LIG 1 -1.011 0.029 -0.405 0.00 0.00 +0.095 C ATOM 13 C LIG 1 0.436 -0.364 -0.059 0.00 0.00 +0.074 C ATOM 14 C LIG 1 0.570 -1.886 0.009 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -0.471 -2.469 0.957 0.00 0.00 +0.016 C ATOM 16 C LIG 1 -1.880 -1.991 0.604 0.00 0.00 +0.084 C BRANCH 11 17 ATOM 17 C LIG 1 -3.346 -0.102 0.309 0.00 0.00 +0.084 C BRANCH 17 19 ATOM 18 C LIG 1 -5.060 1.745 0.423 0.00 0.00 +0.005 C ATOM 19 C LIG 1 -3.589 1.387 0.585 0.00 0.00 +0.012 C ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 1 13 TORSDOF 4