REMARK Name = BDB024306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.867 -1.555 -2.008 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.454 -2.905 -1.599 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.887 -3.705 -0.594 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.427 -4.956 -0.281 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.532 -5.438 -0.976 0.00 0.00 +0.000 A ATOM 6 C LIG 1 3.098 -4.672 -1.990 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.558 -3.422 -2.304 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -1.339 -0.523 -1.755 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -1.369 -0.670 -2.752 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.214 -0.951 -1.060 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.029 -0.843 0.151 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.730 1.304 -0.138 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.636 0.921 0.629 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -2.521 0.327 0.136 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -2.462 0.088 -1.182 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -3.506 0.435 -2.034 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -4.647 1.047 -1.507 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 -8.858 3.983 0.544 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -7.718 3.123 0.747 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -7.482 2.616 1.968 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -6.372 1.893 1.798 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -5.892 1.928 0.466 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -6.797 2.742 -0.187 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 1.884 -0.527 -2.367 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 1.431 0.175 -2.950 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 2.503 0.189 -1.238 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.313 -0.657 -0.242 0.00 0.00 +0.051 C BRANCH 27 28 ATOM 28 C LIG 1 3.925 0.201 0.851 0.00 0.00 -0.034 A ATOM 29 C LIG 1 5.268 0.639 0.822 0.00 0.00 +0.059 A ATOM 30 C LIG 1 5.744 1.438 1.883 0.00 0.00 +0.031 A ATOM 31 C LIG 1 4.910 1.805 2.946 0.00 0.00 +0.052 A ATOM 32 C LIG 1 3.584 1.375 2.962 0.00 0.00 +0.019 A ATOM 33 C LIG 1 3.097 0.581 1.924 0.00 0.00 +0.005 A BRANCH 29 34 ATOM 34 C LIG 1 6.214 0.268 -0.302 0.00 0.00 +0.418 C ATOM 35 F LIG 1 5.727 0.590 -1.532 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.495 -1.063 -0.337 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.422 0.896 -0.217 0.00 0.00 -0.166 F ENDBRANCH 29 34 BRANCH 31 38 ATOM 38 C LIG 1 5.416 2.620 4.011 0.00 0.00 +0.099 C ATOM 39 N LIG 1 5.831 3.283 4.869 0.00 0.00 -0.191 NA ENDBRANCH 31 38 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10