REMARK Name = BDB050435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.001 0.515 0.198 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -1.005 -0.217 -0.476 0.00 0.00 +0.008 A ATOM 3 C LIG 1 -1.275 -0.599 -1.807 0.00 0.00 -0.038 A ATOM 4 C LIG 1 -0.279 -1.371 -2.631 0.00 0.00 +0.044 C ATOM 5 C LIG 1 -2.499 -0.240 -2.384 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.419 0.475 -1.637 0.00 0.00 +0.117 A ATOM 7 N LIG 1 -3.188 0.857 -0.376 0.00 0.00 -0.237 NA ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 0.276 -0.549 0.157 0.00 0.00 +0.008 A ATOM 9 C LIG 1 1.369 0.339 0.085 0.00 0.00 +0.057 A ATOM 10 C LIG 1 2.609 0.065 0.668 0.00 0.00 +0.038 A ATOM 11 C LIG 1 3.468 1.179 0.400 0.00 0.00 -0.023 A ATOM 12 C LIG 1 2.731 2.088 -0.332 0.00 0.00 +0.087 A ATOM 13 C LIG 1 4.883 1.321 0.831 0.00 0.00 +0.046 C ATOM 14 C LIG 1 2.765 -1.155 1.352 0.00 0.00 +0.133 A ATOM 15 F LIG 1 3.934 -1.468 1.930 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.706 -2.058 1.438 0.00 0.00 +0.040 A ATOM 17 N LIG 1 1.476 1.576 -0.516 0.00 0.00 -0.360 N ATOM 18 H LIG 1 0.725 2.031 -1.019 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 0.481 -1.759 0.847 0.00 0.00 +0.013 A ENDBRANCH 2 8 BRANCH 6 20 ATOM 20 N LIG 1 -4.634 0.865 -2.192 0.00 0.00 -0.343 N ATOM 21 H LIG 1 -5.154 1.333 -1.453 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -5.143 0.073 -2.564 0.00 0.00 +0.144 HD ENDBRANCH 6 20 BRANCH 1 24 ATOM 23 C LIG 1 -2.449 -0.035 2.605 0.00 0.00 +0.010 C ATOM 24 C LIG 1 -1.850 0.969 1.632 0.00 0.00 +0.053 C ENDBRANCH 1 24 TORSDOF 3