REMARK Name = BDB026171 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.004 1.292 0.023 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.583 0.012 -0.117 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.965 -0.119 -0.292 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.804 1.010 -0.318 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.199 2.268 -0.167 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.948 3.382 -0.169 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.822 2.416 -0.001 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.830 3.644 -0.920 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.609 2.124 -0.846 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.144 1.502 0.381 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.578 1.651 0.571 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.380 1.866 1.590 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -1.864 2.114 1.364 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -1.405 1.373 0.179 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.095 1.779 -1.073 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 4.263 0.865 -0.499 0.00 0.00 -0.014 A ATOM 17 C LIG 1 4.997 -0.076 0.249 0.00 0.00 +0.024 A ATOM 18 C LIG 1 6.385 -0.216 0.081 0.00 0.00 +0.072 A ATOM 19 C LIG 1 7.045 0.577 -0.854 0.00 0.00 +0.136 A ATOM 20 F LIG 1 8.371 0.493 -1.032 0.00 0.00 -0.205 F ATOM 21 C LIG 1 6.341 1.510 -1.607 0.00 0.00 +0.040 A ATOM 22 C LIG 1 4.963 1.653 -1.430 0.00 0.00 +0.011 A BRANCH 18 23 ATOM 23 C LIG 1 7.150 -1.210 0.868 0.00 0.00 +0.244 C ATOM 24 O LIG 1 8.126 -1.795 0.420 0.00 0.00 -0.270 OA ATOM 25 N LIG 1 6.722 -1.445 2.147 0.00 0.00 -0.325 N ATOM 26 H LIG 1 7.314 -2.044 2.709 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 6.081 -0.832 2.629 0.00 0.00 +0.145 HD ENDBRANCH 18 23 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -0.312 -1.078 -0.051 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.282 -0.773 0.038 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.015 -2.416 0.003 0.00 0.00 +0.250 C ATOM 31 O LIG 1 1.096 -2.932 0.017 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.232 -3.266 0.159 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -2.255 -3.439 -0.866 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -3.315 -4.231 -0.609 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -3.445 -4.925 0.698 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -4.412 -5.635 0.942 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -2.421 -4.718 1.587 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -2.498 -5.204 2.473 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -1.337 -3.915 1.331 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.087 -2.770 -2.195 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.278 -1.430 -2.088 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -0.840 -2.949 -2.700 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6