REMARK Name = BDB064957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.470 -1.919 1.024 0.00 0.00 -0.314 N ATOM 2 C LIG 1 -1.634 -1.661 -0.069 0.00 0.00 +0.259 A ATOM 3 O LIG 1 -2.050 -1.358 -1.184 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 -0.153 -1.769 0.195 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.266 -2.127 1.422 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.662 -2.395 2.504 0.00 0.00 +0.072 A ATOM 7 C LIG 1 -1.978 -2.279 2.269 0.00 0.00 +0.101 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 0.834 -1.508 -0.869 0.00 0.00 -0.012 A ATOM 9 C LIG 1 1.783 -0.478 -0.731 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.745 -0.190 -1.724 0.00 0.00 -0.033 A ATOM 11 C LIG 1 2.709 -1.008 -2.873 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.775 -2.034 -3.030 0.00 0.00 +0.001 A ATOM 13 C LIG 1 0.839 -2.281 -2.032 0.00 0.00 +0.009 A BRANCH 10 14 ATOM 14 C LIG 1 3.829 0.993 -1.589 0.00 0.00 +0.056 C ATOM 15 C LIG 1 3.751 2.099 -2.702 0.00 0.00 +0.022 C ATOM 16 C LIG 1 3.931 3.192 -1.630 0.00 0.00 -0.012 C ATOM 17 C LIG 1 5.301 3.841 -1.519 0.00 0.00 +0.007 C ATOM 18 C LIG 1 3.578 2.144 -0.556 0.00 0.00 +0.022 C BRANCH 14 19 ATOM 19 C LIG 1 5.281 0.358 -1.454 0.00 0.00 +0.144 A ATOM 20 N LIG 1 5.752 -0.456 -0.459 0.00 0.00 -0.320 N ATOM 21 C LIG 1 5.049 -0.945 0.693 0.00 0.00 +0.151 C ATOM 22 C LIG 1 7.039 -0.750 -0.791 0.00 0.00 +0.224 A ATOM 23 N LIG 1 7.345 -0.164 -1.924 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 6.235 0.526 -2.348 0.00 0.00 -0.134 NA ENDBRANCH 14 19 ENDBRANCH 10 14 ENDBRANCH 4 8 BRANCH 6 25 ATOM 25 C LIG 1 -0.094 -2.785 3.837 0.00 0.00 +0.419 C ATOM 26 F LIG 1 0.758 -1.840 4.313 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -1.049 -2.965 4.785 0.00 0.00 -0.166 F ATOM 28 F LIG 1 0.609 -3.943 3.762 0.00 0.00 -0.166 F ENDBRANCH 6 25 BRANCH 1 29 ATOM 29 C LIG 1 -3.923 -1.805 0.846 0.00 0.00 +0.128 C BRANCH 29 34 ATOM 30 C LIG 1 -7.206 2.584 0.794 0.00 0.00 +0.104 C ATOM 31 N LIG 1 -6.161 1.703 0.280 0.00 0.00 -0.305 NA ATOM 32 C LIG 1 -6.583 0.299 0.236 0.00 0.00 +0.084 C ATOM 33 C LIG 1 -6.053 -0.531 1.404 0.00 0.00 +0.020 C ATOM 34 C LIG 1 -4.512 -0.522 1.468 0.00 0.00 +0.011 C ATOM 35 C LIG 1 -3.936 0.747 0.815 0.00 0.00 +0.020 C ATOM 36 C LIG 1 -4.891 1.927 0.984 0.00 0.00 +0.084 C ENDBRANCH 29 34 ENDBRANCH 1 29 TORSDOF 6