REMARK Name = BDB027099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.388 -0.815 1.502 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.760 -2.119 0.807 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.742 -2.247 -0.592 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.102 -3.451 -1.200 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.494 -4.538 -0.423 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.532 -4.423 0.964 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.171 -3.221 1.576 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.264 -0.002 0.789 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.489 1.065 0.213 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.856 0.614 -0.744 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.656 -0.558 -0.000 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.357 -0.816 0.456 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.276 0.029 0.191 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.110 -0.545 0.809 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.533 -1.714 1.420 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.510 1.189 -0.583 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.875 -1.869 1.193 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.434 -2.648 1.514 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.799 1.468 -1.053 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 C LIG 1 7.120 1.305 1.046 0.00 0.00 +0.132 C ATOM 21 N LIG 1 7.269 1.033 -0.377 0.00 0.00 -0.304 N ATOM 22 C LIG 1 6.203 0.929 -1.272 0.00 0.00 +0.246 C ATOM 23 O LIG 1 6.320 1.064 -2.488 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 8.597 1.238 -0.928 0.00 0.00 +0.132 C ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.574 0.013 1.855 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -3.144 -0.514 2.516 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.424 0.380 0.715 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.431 1.455 1.149 0.00 0.00 +0.051 C BRANCH 28 29 ATOM 29 C LIG 1 -5.343 1.863 0.012 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -6.529 1.176 -0.300 0.00 0.00 +0.046 A ATOM 31 CL LIG 1 -7.055 -0.195 0.611 0.00 0.00 -0.083 Cl ATOM 32 C LIG 1 -7.327 1.582 -1.373 0.00 0.00 +0.040 A ATOM 33 C LIG 1 -6.941 2.674 -2.146 0.00 0.00 +0.042 A ATOM 34 CL LIG 1 -7.923 3.173 -3.468 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -5.766 3.362 -1.861 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -4.969 2.957 -0.789 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8