REMARK Name = BDB058484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.823 -0.717 0.781 0.00 0.00 +0.109 A ATOM 2 C LIG 1 4.193 -0.498 0.684 0.00 0.00 +0.148 A ATOM 3 CL LIG 1 5.368 -1.519 1.424 0.00 0.00 -0.061 Cl ATOM 4 N LIG 1 4.758 0.526 0.008 0.00 0.00 -0.242 NA ATOM 5 C LIG 1 3.914 1.387 -0.587 0.00 0.00 +0.114 A ATOM 6 C LIG 1 2.533 1.258 -0.551 0.00 0.00 +0.044 A ATOM 7 C LIG 1 1.950 0.170 0.115 0.00 0.00 +0.049 A ENDROOT BRANCH 1 9 ATOM 8 N LIG 1 1.888 -2.732 2.114 0.00 0.00 -0.191 NA ATOM 9 C LIG 1 2.323 -1.827 1.530 0.00 0.00 +0.104 C ENDBRANCH 1 9 BRANCH 7 10 ATOM 10 N LIG 1 0.559 0.045 0.237 0.00 0.00 -0.339 N ATOM 11 H LIG 1 0.230 -0.897 0.452 0.00 0.00 +0.146 HD BRANCH 10 12 ATOM 12 C LIG 1 -0.346 0.740 -0.672 0.00 0.00 +0.137 C BRANCH 12 13 ATOM 13 C LIG 1 -1.761 0.283 -0.410 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -2.409 -0.589 -1.296 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.712 -1.019 -1.039 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.378 -0.587 0.107 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.740 0.273 1.000 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.438 0.705 0.745 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 7 10 TORSDOF 4