REMARK Name = BDB025655 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.198 -0.938 0.429 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.742 0.385 0.227 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.626 0.656 0.112 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.583 -0.375 0.186 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.105 -1.679 0.388 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.964 -2.708 0.458 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.255 -1.965 0.511 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.019 -0.087 0.058 0.00 0.00 +0.021 A ATOM 9 C LIG 1 3.996 -0.682 0.832 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.321 -0.430 0.734 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 5.724 0.461 -0.184 0.00 0.00 +0.218 A ATOM 12 N LIG 1 4.857 1.096 -0.988 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.542 0.811 -0.850 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.068 0.758 -0.288 0.00 0.00 -0.295 N ATOM 15 C LIG 1 8.048 -0.186 0.255 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.045 -0.597 -0.842 0.00 0.00 +0.179 C ATOM 17 O LIG 1 9.756 0.506 -1.427 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.011 1.735 -1.416 0.00 0.00 +0.179 C ATOM 19 C LIG 1 7.489 1.534 -1.456 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -4.300 -2.796 0.127 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -3.146 -2.007 -0.540 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.592 -1.157 0.543 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -3.003 -1.737 1.839 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -3.683 -3.061 1.503 0.00 0.00 +0.039 C BRANCH 20 26 ATOM 25 C LIG 1 -5.760 -4.746 0.152 0.00 0.00 +0.104 C ATOM 26 N LIG 1 -4.720 -4.020 -0.584 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -5.208 -3.713 -1.933 0.00 0.00 +0.104 C ENDBRANCH 20 26 ENDBRANCH 1 22 BRANCH 2 28 ATOM 28 N LIG 1 -1.752 1.368 0.169 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.676 0.961 0.312 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.619 2.710 -0.073 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.591 3.319 -0.343 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.924 3.431 -0.051 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.764 3.571 1.136 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.920 4.260 1.045 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.341 4.869 -0.241 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.398 5.478 -0.336 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.474 4.701 -1.291 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.750 5.136 -2.165 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -3.292 4.009 -1.206 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.300 2.980 2.431 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -3.376 1.625 2.408 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -4.062 3.382 3.482 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.023 3.311 2.731 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7