REMARK Name = BDB058455 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.262 0.942 -0.643 0.00 0.00 +0.109 A ATOM 2 C LIG 1 3.609 0.610 -0.559 0.00 0.00 +0.148 A ATOM 3 CL LIG 1 4.876 1.657 -1.080 0.00 0.00 -0.061 Cl ATOM 4 N LIG 1 4.080 -0.557 -0.066 0.00 0.00 -0.242 NA ATOM 5 C LIG 1 3.161 -1.429 0.382 0.00 0.00 +0.114 A ATOM 6 C LIG 1 1.794 -1.195 0.342 0.00 0.00 +0.044 A ATOM 7 C LIG 1 1.306 -0.001 -0.207 0.00 0.00 +0.049 A ENDROOT BRANCH 1 9 ATOM 8 N LIG 1 1.503 3.218 -1.621 0.00 0.00 -0.191 NA ATOM 9 C LIG 1 1.864 2.208 -1.175 0.00 0.00 +0.104 C ENDBRANCH 1 9 BRANCH 7 10 ATOM 10 N LIG 1 -0.061 0.308 -0.200 0.00 0.00 -0.342 N ATOM 11 H LIG 1 -0.343 1.019 -0.874 0.00 0.00 +0.146 HD BRANCH 10 12 ATOM 12 C LIG 1 -1.072 -0.727 -0.024 0.00 0.00 +0.105 C BRANCH 12 13 ATOM 13 C LIG 1 -2.425 -0.113 -0.228 0.00 0.00 +0.006 C ATOM 14 C LIG 1 -3.020 0.798 0.817 0.00 0.00 +0.005 C ATOM 15 C LIG 1 -3.608 -0.568 0.591 0.00 0.00 +0.005 C ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 7 10 TORSDOF 4