REMARK Name = BDB026305 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.883 -1.055 0.419 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.183 0.177 0.334 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.217 0.212 0.385 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.972 -0.963 0.549 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.264 -2.164 0.674 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.922 -3.323 0.835 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.130 -2.212 0.619 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.593 -2.903 -2.355 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.593 -1.975 -1.656 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.513 -2.723 -0.759 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.778 -1.993 -0.607 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.928 -3.008 0.578 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.193 -4.353 0.567 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.095 -1.869 1.234 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.272 -1.089 0.300 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.873 -0.767 -1.006 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.446 -0.914 0.604 0.00 0.00 -0.012 A ATOM 18 C LIG 1 3.182 -0.190 -0.347 0.00 0.00 +0.047 A ATOM 19 C LIG 1 4.577 -0.139 -0.293 0.00 0.00 +0.136 A ATOM 20 F LIG 1 5.213 0.577 -1.234 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.285 -0.804 0.707 0.00 0.00 +0.072 A ATOM 22 C LIG 1 4.563 -1.528 1.664 0.00 0.00 +0.016 A ATOM 23 C LIG 1 3.164 -1.581 1.611 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 6.772 -0.781 0.810 0.00 0.00 +0.247 C ATOM 25 N LIG 1 7.469 -0.129 -0.182 0.00 0.00 -0.311 N ATOM 26 H LIG 1 6.960 0.422 -0.864 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 7.327 -1.330 1.757 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 8.896 0.053 -0.092 0.00 0.00 +0.108 C BRANCH 28 29 ATOM 29 C LIG 1 9.417 0.526 -1.410 0.00 0.00 +0.006 C ATOM 30 C LIG 1 9.260 1.967 -1.828 0.00 0.00 +0.005 C ATOM 31 C LIG 1 10.620 1.431 -1.476 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -1.979 1.345 0.280 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -2.966 1.138 0.407 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -1.572 2.647 0.129 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -0.437 3.049 -0.092 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -2.706 3.619 0.174 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -3.589 3.809 1.322 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -4.566 4.737 1.254 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -4.750 5.558 0.032 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -5.647 6.386 -0.045 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -3.859 5.320 -0.984 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -3.968 5.896 -1.811 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -2.855 4.385 -0.920 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -3.367 2.995 2.558 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -4.113 3.432 3.606 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.077 3.007 2.968 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -3.721 1.700 2.354 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 8