REMARK Name = BDB050071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CL LIG 1 -2.934 3.272 -0.780 0.00 0.00 -0.060 Cl ATOM 2 C LIG 1 -2.647 1.619 -0.371 0.00 0.00 +0.150 A ATOM 3 N LIG 1 -1.403 1.263 -0.331 0.00 0.00 -0.153 NA ATOM 4 N LIG 1 -1.213 -0.050 -0.004 0.00 0.00 -0.211 N ATOM 5 C LIG 1 -2.212 -0.976 0.271 0.00 0.00 +0.155 A ATOM 6 N LIG 1 -1.722 -2.158 0.552 0.00 0.00 -0.234 NA ATOM 7 C LIG 1 -0.366 -2.004 0.458 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -3.552 -0.536 0.213 0.00 0.00 +0.051 A ATOM 9 C LIG 1 0.006 -0.709 0.114 0.00 0.00 +0.094 A ATOM 10 C LIG 1 -3.811 0.738 -0.100 0.00 0.00 +0.045 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 1.355 -0.143 -0.084 0.00 0.00 +0.020 A ATOM 12 C LIG 1 1.609 1.184 -0.432 0.00 0.00 +0.120 A ATOM 13 N LIG 1 2.845 1.722 -0.618 0.00 0.00 -0.263 NA ATOM 14 C LIG 1 3.898 0.901 -0.452 0.00 0.00 +0.111 A ATOM 15 C LIG 1 3.774 -0.431 -0.108 0.00 0.00 +0.020 A ATOM 16 C LIG 1 2.492 -0.951 0.075 0.00 0.00 +0.013 A ENDBRANCH 9 11 TORSDOF 1