REMARK Name = BDB027425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.053 0.232 -1.304 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.128 0.993 -1.407 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.036 2.324 -0.992 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.074 2.926 -0.497 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.194 2.183 -0.389 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.218 0.851 -0.801 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.374 2.879 0.165 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.553 4.260 -0.049 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.661 4.927 0.467 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.804 6.240 0.237 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.611 4.242 1.210 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.677 4.884 1.706 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.461 2.882 1.450 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.349 2.207 0.932 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.303 0.419 -1.896 0.00 0.00 -0.326 N ATOM 16 C LIG 1 2.056 -0.398 -0.912 0.00 0.00 +0.131 C ATOM 17 C LIG 1 3.241 0.360 -0.208 0.00 0.00 +0.058 C ATOM 18 C LIG 1 4.109 0.982 -1.332 0.00 0.00 +0.030 C ATOM 19 C LIG 1 3.300 1.883 -2.268 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.107 1.153 -2.878 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 4.000 -0.619 0.703 0.00 0.00 -0.023 A ATOM 22 C LIG 1 3.330 -1.269 1.756 0.00 0.00 +0.025 A ATOM 23 C LIG 1 4.027 -2.142 2.578 0.00 0.00 +0.111 A ATOM 24 N LIG 1 5.336 -2.419 2.435 0.00 0.00 -0.263 NA ATOM 25 C LIG 1 5.978 -1.787 1.433 0.00 0.00 +0.111 A ATOM 26 C LIG 1 5.367 -0.895 0.560 0.00 0.00 +0.025 A ENDBRANCH 17 21 BRANCH 17 27 ATOM 27 N LIG 1 2.771 1.491 0.622 0.00 0.00 -0.320 NA ATOM 28 H LIG 1 2.015 1.186 1.233 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 3.529 1.808 1.225 0.00 0.00 +0.119 HD ENDBRANCH 17 27 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -1.114 -1.179 -1.855 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -2.586 -4.219 1.628 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -2.685 -3.459 0.450 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -3.701 -3.302 -0.472 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -3.208 -2.483 -1.377 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -1.937 -2.078 -1.062 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -1.569 -2.720 0.089 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -0.392 -2.660 0.736 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -0.410 -3.443 1.834 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -1.418 -4.207 2.308 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -3.623 -5.002 2.117 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -4.312 -5.244 1.413 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -3.290 -5.741 2.722 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 7