REMARK Name = BDB030487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.521 -0.079 -0.452 0.00 0.00 +0.159 A ATOM 2 C LIG 1 0.692 -0.727 -0.219 0.00 0.00 +0.203 A ATOM 3 F LIG 1 0.886 -1.945 -0.752 0.00 0.00 -0.198 F ATOM 4 C LIG 1 1.637 -0.108 0.599 0.00 0.00 +0.163 A ATOM 5 N LIG 1 1.356 1.103 1.133 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 0.173 1.660 0.839 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -0.785 1.130 0.071 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.458 -0.685 -1.317 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -1.509 -1.684 -1.109 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.761 -0.029 -1.390 0.00 0.00 +0.112 C BRANCH 10 16 ATOM 11 N LIG 1 -5.843 -0.519 -0.481 0.00 0.00 -0.288 NA ATOM 12 C LIG 1 -5.127 -1.822 -0.403 0.00 0.00 +0.160 C ATOM 13 C LIG 1 -4.188 -2.107 -1.594 0.00 0.00 +0.266 C ATOM 14 F LIG 1 -3.132 -2.855 -1.182 0.00 0.00 -0.204 F ATOM 15 F LIG 1 -4.858 -2.871 -2.504 0.00 0.00 -0.204 F ATOM 16 C LIG 1 -3.711 -0.838 -2.291 0.00 0.00 +0.078 C ATOM 17 C LIG 1 -4.935 0.007 -2.716 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -6.201 -0.239 -1.878 0.00 0.00 +0.085 C BRANCH 11 19 ATOM 19 C LIG 1 -7.045 -0.556 0.392 0.00 0.00 +0.180 C BRANCH 19 23 ATOM 20 N LIG 1 -6.630 1.817 0.810 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -5.704 1.624 0.447 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -6.946 2.776 0.855 0.00 0.00 +0.145 HD ATOM 23 C LIG 1 -7.586 0.854 0.644 0.00 0.00 +0.225 C ATOM 24 O LIG 1 -8.779 1.117 0.746 0.00 0.00 -0.275 OA ENDBRANCH 19 23 ENDBRANCH 11 19 ENDBRANCH 10 16 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 25 ATOM 25 N LIG 1 2.905 -0.678 0.872 0.00 0.00 -0.305 N BRANCH 25 26 ATOM 26 C LIG 1 3.290 -2.007 0.366 0.00 0.00 +0.075 C ATOM 27 C LIG 1 3.667 -2.207 -1.079 0.00 0.00 +0.024 C ATOM 28 C LIG 1 4.709 -2.340 -0.015 0.00 0.00 +0.024 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 3.563 -0.217 2.102 0.00 0.00 +0.142 C BRANCH 29 30 ATOM 30 C LIG 1 4.832 0.564 1.814 0.00 0.00 -0.030 A ATOM 31 C LIG 1 6.040 0.200 2.427 0.00 0.00 +0.006 A ATOM 32 C LIG 1 7.210 0.924 2.183 0.00 0.00 +0.013 A ATOM 33 C LIG 1 7.195 2.038 1.332 0.00 0.00 +0.055 A ATOM 34 C LIG 1 5.987 2.406 0.722 0.00 0.00 +0.013 A ATOM 35 C LIG 1 4.819 1.680 0.966 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 8.457 2.814 1.046 0.00 0.00 +0.417 C ATOM 37 F LIG 1 9.438 2.609 1.969 0.00 0.00 -0.166 F ATOM 38 F LIG 1 8.255 4.162 1.016 0.00 0.00 -0.166 F ATOM 39 F LIG 1 9.004 2.491 -0.158 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 4 25 TORSDOF 10