REMARK Name = BDB002478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.120 0.579 -0.314 0.00 0.00 +0.045 C ATOM 2 C LIG 1 -3.630 0.493 -0.108 0.00 0.00 -0.026 A ATOM 3 C LIG 1 -2.814 1.540 0.130 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -1.342 1.319 0.324 0.00 0.00 +0.289 A ATOM 5 O LIG 1 -0.629 2.277 0.629 0.00 0.00 -0.264 OA ATOM 6 N LIG 1 -0.890 -0.007 0.142 0.00 0.00 -0.200 N ATOM 7 C LIG 1 -1.764 -1.073 -0.054 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -1.206 -2.469 -0.139 0.00 0.00 +0.066 C ATOM 9 C LIG 1 -3.082 -0.846 -0.177 0.00 0.00 +0.028 A ENDROOT BRANCH 3 10 ATOM 10 C LIG 1 -3.289 2.879 0.216 0.00 0.00 +0.105 C ATOM 11 N LIG 1 -3.732 3.951 0.267 0.00 0.00 -0.191 NA ENDBRANCH 3 10 BRANCH 6 12 ATOM 12 N LIG 1 0.432 -0.372 0.326 0.00 0.00 -0.171 NA ATOM 13 C LIG 1 1.366 0.466 0.005 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 C LIG 1 2.793 0.154 0.229 0.00 0.00 -0.005 A ATOM 15 C LIG 1 3.183 -1.062 0.799 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.539 -1.331 0.996 0.00 0.00 +0.001 A ATOM 17 C LIG 1 5.499 -0.389 0.626 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.108 0.825 0.060 0.00 0.00 +0.001 A ATOM 19 C LIG 1 3.754 1.100 -0.140 0.00 0.00 +0.009 A ENDBRANCH 13 14 ENDBRANCH 6 12 TORSDOF 3