REMARK Name = BDB005915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.111 2.761 -0.186 0.00 0.00 +0.099 A ATOM 2 C LIG 1 -0.812 1.568 0.021 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -1.774 1.477 1.024 0.00 0.00 +0.095 A ATOM 4 N LIG 1 -2.364 0.245 1.043 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 -1.811 -0.436 0.069 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -2.043 2.561 1.860 0.00 0.00 +0.061 A ATOM 7 C LIG 1 -1.306 3.704 1.618 0.00 0.00 +0.112 A ATOM 8 N LIG 1 -0.799 0.296 -0.529 0.00 0.00 -0.310 N ATOM 9 N LIG 1 -0.381 3.809 0.635 0.00 0.00 -0.241 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.108 -1.711 -0.308 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -2.732 -2.546 0.743 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.257 -3.845 0.115 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -3.567 -4.698 1.333 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -2.461 -4.339 2.334 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -4.384 -3.624 -0.730 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -4.287 -2.356 -1.413 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -1.764 -3.085 1.785 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -2.838 -1.847 -1.607 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 21 ATOM 19 C LIG 1 2.779 3.179 0.434 0.00 0.00 +0.066 C ATOM 20 C LIG 1 2.238 3.188 -0.970 0.00 0.00 +0.048 A ATOM 21 C LIG 1 0.869 3.010 -1.235 0.00 0.00 +0.025 A ATOM 22 C LIG 1 0.454 3.125 -2.573 0.00 0.00 +0.033 A ATOM 23 C LIG 1 1.386 3.358 -3.578 0.00 0.00 +0.060 A ATOM 24 CL LIG 1 0.891 3.470 -5.216 0.00 0.00 -0.082 Cl ATOM 25 C LIG 1 2.716 3.481 -3.224 0.00 0.00 +0.131 A ATOM 26 N LIG 1 3.161 3.397 -1.950 0.00 0.00 -0.258 NA ENDBRANCH 1 21 BRANCH 7 27 ATOM 27 C LIG 1 -1.485 4.925 2.441 0.00 0.00 +0.201 A ATOM 28 N LIG 1 -2.505 5.050 3.307 0.00 0.00 -0.270 N ATOM 29 H LIG 1 -3.270 4.434 3.511 0.00 0.00 +0.174 HD ATOM 30 C LIG 1 -2.390 6.263 3.869 0.00 0.00 +0.440 A ATOM 31 O LIG 1 -3.156 6.735 4.694 0.00 0.00 -0.221 OA ATOM 32 O LIG 1 -1.279 6.879 3.359 0.00 0.00 -0.295 OA ATOM 33 N LIG 1 -0.714 5.964 2.416 0.00 0.00 -0.053 NA ENDBRANCH 7 27 BRANCH 8 34 ATOM 34 C LIG 1 0.153 -0.230 -1.493 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 1.546 -0.523 -0.907 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.545 -0.777 -2.046 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.940 -1.099 -1.516 0.00 0.00 +0.003 C ATOM 38 C LIG 1 3.916 -2.291 -0.552 0.00 0.00 -0.014 C ATOM 39 C LIG 1 5.313 -2.566 0.001 0.00 0.00 +0.007 C ATOM 40 C LIG 1 2.921 -2.046 0.588 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.524 -1.715 0.062 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 5