REMARK Name = BDB035165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.945 -0.291 -0.544 0.00 0.00 +0.189 A ATOM 2 N LIG 1 -3.257 -0.769 -1.762 0.00 0.00 -0.145 NA ATOM 3 N LIG 1 -2.497 -0.011 -2.580 0.00 0.00 -0.217 N ATOM 4 C LIG 1 -1.773 0.879 -1.831 0.00 0.00 +0.178 A ATOM 5 C LIG 1 -0.874 1.783 -2.501 0.00 0.00 +0.090 A ATOM 6 N LIG 1 -0.763 1.777 -3.808 0.00 0.00 -0.254 NA ATOM 7 C LIG 1 -1.527 0.870 -4.521 0.00 0.00 +0.131 A ATOM 8 C LIG 1 -2.370 -0.009 -3.956 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -2.043 0.750 -0.555 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -2.715 -1.212 1.743 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -3.514 -0.796 0.687 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -4.890 -0.882 0.891 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -5.396 -1.369 2.057 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -4.526 -1.744 3.002 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -3.196 -1.690 2.909 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -5.902 -0.441 -0.153 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -6.088 1.031 -0.452 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -7.166 0.278 0.266 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -0.609 -1.521 2.746 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -1.340 -1.173 1.576 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 5 21 ATOM 21 C LIG 1 -0.036 2.728 -1.671 0.00 0.00 +0.094 C BRANCH 21 22 ATOM 22 C LIG 1 1.218 2.061 -1.157 0.00 0.00 -0.041 A ATOM 23 C LIG 1 1.239 1.461 0.108 0.00 0.00 +0.005 A ATOM 24 C LIG 1 2.389 0.814 0.568 0.00 0.00 +0.012 A ATOM 25 C LIG 1 3.533 0.741 -0.235 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.517 1.358 -1.492 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.368 2.004 -1.955 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 4.746 0.057 0.214 0.00 0.00 +0.141 A ATOM 29 N LIG 1 4.809 -1.238 0.684 0.00 0.00 -0.333 N ATOM 30 C LIG 1 3.724 -2.187 0.763 0.00 0.00 +0.150 C ATOM 31 C LIG 1 6.110 -1.514 1.008 0.00 0.00 +0.119 A ATOM 32 C LIG 1 6.829 -0.377 0.691 0.00 0.00 +0.162 A ATOM 33 N LIG 1 5.960 0.579 0.184 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 8.303 -0.129 0.830 0.00 0.00 +0.436 C ATOM 35 F LIG 1 8.583 0.802 1.780 0.00 0.00 -0.164 F ATOM 36 F LIG 1 8.873 0.297 -0.328 0.00 0.00 -0.164 F ATOM 37 F LIG 1 8.973 -1.259 1.194 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 5 21 TORSDOF 7