REMARK Name = BDB010975 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.766 1.155 0.436 0.00 0.00 -0.266 N ATOM 2 C LIG 1 -0.369 1.467 -0.333 0.00 0.00 +0.282 A ATOM 3 O LIG 1 -0.380 1.911 -1.477 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 -1.588 1.161 0.349 0.00 0.00 +0.131 A ATOM 5 C LIG 1 -1.650 0.613 1.595 0.00 0.00 +0.107 A ATOM 6 C LIG 1 -2.995 0.423 1.971 0.00 0.00 +0.103 A ATOM 7 C LIG 1 -3.744 0.863 0.874 0.00 0.00 +0.045 A ATOM 8 N LIG 1 -0.511 0.308 2.325 0.00 0.00 -0.235 NA ATOM 9 N LIG 1 -2.869 1.319 -0.092 0.00 0.00 -0.351 N ATOM 10 H LIG 1 -3.144 1.659 -1.008 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 0.598 0.600 1.708 0.00 0.00 +0.207 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 4.509 0.785 -0.142 0.00 0.00 -0.032 A ATOM 13 C LIG 1 3.182 0.592 0.322 0.00 0.00 +0.031 A ATOM 14 C LIG 1 2.093 1.394 -0.073 0.00 0.00 +0.051 A ATOM 15 C LIG 1 2.358 2.432 -0.973 0.00 0.00 +0.026 A ATOM 16 C LIG 1 3.648 2.661 -1.450 0.00 0.00 +0.002 A ATOM 17 C LIG 1 4.704 1.850 -1.038 0.00 0.00 +0.005 A BRANCH 12 21 ATOM 18 C LIG 1 8.486 0.412 2.400 0.00 0.00 +0.007 C ATOM 19 C LIG 1 7.501 -0.349 1.536 0.00 0.00 -0.012 C ATOM 20 C LIG 1 7.186 0.256 0.148 0.00 0.00 +0.022 C ATOM 21 C LIG 1 5.693 -0.190 0.333 0.00 0.00 +0.056 C ATOM 22 C LIG 1 6.004 -0.167 1.876 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 5.430 -1.656 -0.225 0.00 0.00 +0.144 A ATOM 24 N LIG 1 5.337 -2.049 -1.533 0.00 0.00 -0.320 N ATOM 25 C LIG 1 5.452 -1.242 -2.715 0.00 0.00 +0.151 C ATOM 26 C LIG 1 5.082 -3.386 -1.505 0.00 0.00 +0.224 A ATOM 27 N LIG 1 5.016 -3.795 -0.260 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 5.229 -2.704 0.547 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 -3.497 -0.152 3.249 0.00 0.00 +0.421 C ATOM 30 F LIG 1 -3.684 -1.495 3.156 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -4.705 0.377 3.593 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.678 0.067 4.308 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 7 33 ATOM 33 C LIG 1 -5.224 0.900 0.642 0.00 0.00 +0.138 C BRANCH 33 34 ATOM 34 N LIG 1 -5.564 0.414 -0.704 0.00 0.00 -0.296 NA ATOM 35 C LIG 1 -6.948 0.772 -1.067 0.00 0.00 +0.088 C ATOM 36 C LIG 1 -7.953 -0.377 -0.902 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -9.378 0.083 -1.206 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -7.562 -1.564 -1.795 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -6.051 -1.665 -1.995 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -5.289 -1.032 -0.833 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 6