REMARK Name = BDB000717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.605 -1.982 0.571 0.00 0.00 +0.008 C ATOM 2 C LIG 1 0.739 -1.944 0.539 0.00 0.00 +0.008 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 1.580 -0.785 0.219 0.00 0.00 -0.022 A ATOM 4 C LIG 1 2.559 -0.905 -0.774 0.00 0.00 +0.028 A ATOM 5 C LIG 1 3.378 0.181 -1.084 0.00 0.00 +0.043 A ATOM 6 CL LIG 1 4.569 0.024 -2.317 0.00 0.00 -0.083 Cl ATOM 7 C LIG 1 3.243 1.391 -0.409 0.00 0.00 +0.040 A ATOM 8 C LIG 1 2.279 1.505 0.589 0.00 0.00 +0.043 A ATOM 9 CL LIG 1 2.105 2.991 1.439 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 1.454 0.426 0.910 0.00 0.00 +0.028 A ENDBRANCH 2 3 BRANCH 1 15 ATOM 11 CL LIG 1 -4.426 2.454 -0.666 0.00 0.00 -0.084 Cl ATOM 12 C LIG 1 -3.324 1.181 -0.318 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -2.387 0.795 -1.275 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -1.492 -0.240 -0.991 0.00 0.00 +0.009 A ATOM 15 C LIG 1 -1.525 -0.885 0.252 0.00 0.00 -0.025 A ATOM 16 C LIG 1 -2.481 -0.498 1.199 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -3.377 0.537 0.917 0.00 0.00 +0.020 A ENDBRANCH 1 15 TORSDOF 2