REMARK Name = BDB035004 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.839 1.046 -0.498 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -1.211 -0.153 0.119 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -0.217 -1.056 0.540 0.00 0.00 +0.043 A ATOM 4 C LIG 1 1.099 -0.674 0.302 0.00 0.00 +0.066 A ATOM 5 C LIG 1 1.389 0.534 -0.317 0.00 0.00 +0.091 A ATOM 6 C LIG 1 2.796 0.638 -0.418 0.00 0.00 +0.047 A ATOM 7 C LIG 1 3.335 -0.502 0.138 0.00 0.00 +0.085 A ATOM 8 N LIG 1 2.298 -1.290 0.571 0.00 0.00 -0.359 N ATOM 9 H LIG 1 2.400 -2.190 1.021 0.00 0.00 +0.165 HD ATOM 10 N LIG 1 0.437 1.402 -0.722 0.00 0.00 -0.230 NA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -2.656 -0.480 0.334 0.00 0.00 +0.421 C ATOM 12 F LIG 1 -2.864 -1.681 0.947 0.00 0.00 -0.166 F ATOM 13 F LIG 1 -3.295 0.442 1.109 0.00 0.00 -0.166 F ATOM 14 F LIG 1 -3.362 -0.536 -0.831 0.00 0.00 -0.166 F ENDBRANCH 2 11 BRANCH 1 15 ATOM 15 N LIG 1 -1.793 1.973 -0.932 0.00 0.00 -0.343 N ATOM 16 H LIG 1 -2.408 1.569 -1.634 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 -2.357 2.314 -0.158 0.00 0.00 +0.144 HD ENDBRANCH 1 15 TORSDOF 2