REMARK Name = BDB026134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.583 0.578 0.231 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.462 -0.370 0.391 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.803 0.034 0.381 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.153 1.386 0.224 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.107 2.308 0.086 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.376 3.614 -0.074 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.233 1.920 0.088 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.583 0.409 -3.231 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.120 0.926 -1.859 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.246 1.471 -1.040 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.919 2.578 -1.731 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.735 1.897 0.297 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.872 2.325 1.241 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.920 0.792 1.035 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.909 0.113 0.205 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.400 -0.249 -1.141 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.568 1.804 0.207 0.00 0.00 -0.012 A ATOM 18 C LIG 1 4.506 1.151 -0.609 0.00 0.00 +0.047 A ATOM 19 C LIG 1 5.845 1.547 -0.626 0.00 0.00 +0.136 A ATOM 20 F LIG 1 6.693 0.868 -1.411 0.00 0.00 -0.205 F ATOM 21 C LIG 1 6.285 2.597 0.176 0.00 0.00 +0.072 A ATOM 22 C LIG 1 5.367 3.264 0.994 0.00 0.00 +0.016 A ATOM 23 C LIG 1 4.024 2.868 1.007 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 7.705 3.010 0.134 0.00 0.00 +0.244 C ATOM 25 O LIG 1 8.371 2.978 -0.890 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 8.254 3.432 1.316 0.00 0.00 -0.325 N ATOM 27 H LIG 1 9.255 3.587 1.301 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 7.829 3.222 2.208 0.00 0.00 +0.145 HD ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 0.049 -1.706 0.589 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -0.966 -1.790 0.602 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 0.826 -2.812 0.820 0.00 0.00 +0.250 C ATOM 32 O LIG 1 2.046 -2.873 0.889 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 0.013 -4.039 1.049 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -0.674 -4.765 -0.012 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -1.374 -5.875 0.298 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -1.450 -6.355 1.701 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -2.095 -7.353 1.994 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -0.759 -5.611 2.623 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -0.795 -5.948 3.579 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -0.037 -4.484 2.314 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -0.555 -4.269 -1.419 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.207 -3.090 -1.582 0.00 0.00 -0.166 F ATOM 43 F LIG 1 0.729 -4.077 -1.802 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.103 -5.130 -2.317 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6