REMARK Name = BDB064710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.812 -0.403 -1.530 0.00 0.00 +0.165 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 2.030 -0.767 -0.847 0.00 0.00 -0.312 N ATOM 3 C LIG 1 2.796 0.061 -0.076 0.00 0.00 +0.165 A ATOM 4 C LIG 1 3.854 -0.725 0.347 0.00 0.00 +0.147 A ATOM 5 C LIG 1 4.810 -0.104 1.169 0.00 0.00 +0.147 A ATOM 6 N LIG 1 4.625 1.193 1.506 0.00 0.00 -0.219 NA ATOM 7 C LIG 1 3.543 1.837 1.014 0.00 0.00 +0.225 A ATOM 8 N LIG 1 3.731 -2.013 -0.138 0.00 0.00 -0.231 NA ATOM 9 N LIG 1 2.569 1.352 0.217 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 2.629 -1.998 -0.859 0.00 0.00 +0.201 A BRANCH 5 11 ATOM 11 N LIG 1 5.925 -0.761 1.671 0.00 0.00 -0.341 N ATOM 12 H LIG 1 6.293 -0.316 2.501 0.00 0.00 +0.144 HD ATOM 13 H LIG 1 5.835 -1.771 1.673 0.00 0.00 +0.144 HD ENDBRANCH 5 11 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 C LIG 1 -0.366 -0.232 -0.576 0.00 0.00 +0.250 C BRANCH 14 15 ATOM 15 O LIG 1 -1.542 -0.019 -1.363 0.00 0.00 -0.490 OA BRANCH 15 20 ATOM 16 C LIG 1 -5.263 0.611 0.423 0.00 0.00 +0.070 A ATOM 17 C LIG 1 -4.153 0.401 1.247 0.00 0.00 +0.062 A ATOM 18 CL LIG 1 -4.283 0.395 2.972 0.00 0.00 -0.082 Cl ATOM 19 C LIG 1 -2.883 0.186 0.692 0.00 0.00 +0.067 A ATOM 20 C LIG 1 -2.716 0.179 -0.693 0.00 0.00 +0.122 A ATOM 21 C LIG 1 -3.825 0.388 -1.516 0.00 0.00 +0.047 A ATOM 22 C LIG 1 -5.091 0.603 -0.966 0.00 0.00 +0.024 A BRANCH 16 24 ATOM 23 N LIG 1 -7.650 1.016 1.355 0.00 0.00 -0.191 NA ATOM 24 C LIG 1 -6.575 0.834 0.956 0.00 0.00 +0.101 C ENDBRANCH 16 24 ENDBRANCH 15 20 ENDBRANCH 14 15 ENDBRANCH 1 14 TORSDOF 6