REMARK Name = BDB010929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.771 -1.567 1.168 0.00 0.00 +0.139 A ATOM 2 N LIG 1 -0.051 -2.148 2.107 0.00 0.00 -0.337 N ATOM 3 H LIG 1 0.238 -2.492 3.010 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -1.338 -2.184 1.622 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -1.236 -1.599 0.369 0.00 0.00 +0.090 A ATOM 6 C LIG 1 -2.382 -1.466 -0.424 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -3.616 -1.931 0.065 0.00 0.00 -0.031 A ATOM 8 C LIG 1 -3.679 -2.518 1.340 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -2.541 -2.664 2.166 0.00 0.00 +0.080 A ATOM 10 N LIG 1 0.059 -1.229 0.108 0.00 0.00 -0.228 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.324 -0.446 0.387 0.00 0.00 -0.033 A ATOM 12 C LIG 1 2.931 -0.688 0.324 0.00 0.00 +0.016 A ATOM 13 C LIG 1 2.215 -1.358 1.334 0.00 0.00 +0.018 A ATOM 14 C LIG 1 2.919 -1.803 2.457 0.00 0.00 +0.011 A ATOM 15 C LIG 1 4.292 -1.583 2.561 0.00 0.00 +0.001 A ATOM 16 C LIG 1 4.977 -0.916 1.542 0.00 0.00 +0.004 A BRANCH 11 20 ATOM 17 C LIG 1 6.873 1.006 -3.393 0.00 0.00 +0.007 C ATOM 18 C LIG 1 6.491 -0.118 -2.444 0.00 0.00 -0.012 C ATOM 19 C LIG 1 4.987 -0.364 -2.215 0.00 0.00 +0.022 C ATOM 20 C LIG 1 5.083 0.326 -0.808 0.00 0.00 +0.056 C ATOM 21 C LIG 1 6.638 0.173 -0.938 0.00 0.00 +0.022 C BRANCH 20 22 ATOM 22 C LIG 1 4.631 1.851 -0.832 0.00 0.00 +0.144 A ATOM 23 N LIG 1 4.756 2.777 0.169 0.00 0.00 -0.320 N ATOM 24 C LIG 1 5.313 2.599 1.481 0.00 0.00 +0.151 C ATOM 25 C LIG 1 4.232 3.934 -0.319 0.00 0.00 +0.224 A ATOM 26 N LIG 1 3.810 3.742 -1.545 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 4.052 2.428 -1.866 0.00 0.00 -0.134 NA ENDBRANCH 20 22 ENDBRANCH 11 20 ENDBRANCH 1 13 BRANCH 9 28 ATOM 28 C LIG 1 -2.663 -3.295 3.525 0.00 0.00 +0.419 C ATOM 29 F LIG 1 -3.127 -4.574 3.473 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -3.511 -2.619 4.347 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.472 -3.359 4.190 0.00 0.00 -0.166 F ENDBRANCH 9 28 BRANCH 7 32 ATOM 32 C LIG 1 -4.862 -1.796 -0.787 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -5.229 -0.400 -1.054 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 -5.598 0.332 0.171 0.00 0.00 +0.088 C ATOM 35 C LIG 1 -6.589 1.493 -0.060 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -6.533 2.496 1.090 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -6.316 2.169 -1.403 0.00 0.00 +0.006 C ATOM 38 C LIG 1 -6.401 1.158 -2.550 0.00 0.00 +0.016 C ATOM 39 C LIG 1 -6.253 -0.297 -2.092 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 6