REMARK Name = BDB010188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.945 -0.969 -1.292 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.749 -0.282 -1.176 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.107 -1.054 -0.420 0.00 0.00 +0.130 A ATOM 4 C LIG 1 0.655 -2.163 -0.092 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.209 -3.201 0.633 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -1.076 -3.051 0.982 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -1.893 -2.017 0.709 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.430 -0.965 0.010 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.912 -2.087 -0.606 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -1.648 -4.166 1.769 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.879 -5.229 2.056 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.082 -5.374 1.791 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.633 -6.076 2.767 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -1.277 -7.156 3.209 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -2.881 -5.523 2.919 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.849 -4.259 2.244 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.970 -0.489 -2.053 0.00 0.00 -0.297 N ATOM 18 C LIG 1 2.906 -0.912 -3.461 0.00 0.00 +0.133 C BRANCH 17 20 ATOM 19 C LIG 1 4.902 -1.971 -1.320 0.00 0.00 +0.033 C ATOM 20 C LIG 1 4.345 -0.550 -1.483 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 C LIG 1 4.451 0.325 -0.237 0.00 0.00 -0.025 A ATOM 22 C LIG 1 4.671 1.706 -0.385 0.00 0.00 +0.043 A ATOM 23 C LIG 1 4.776 2.525 0.735 0.00 0.00 +0.124 A ATOM 24 F LIG 1 4.986 3.838 0.572 0.00 0.00 -0.205 F ATOM 25 C LIG 1 4.658 2.005 2.017 0.00 0.00 +0.038 A ATOM 26 C LIG 1 4.420 0.643 2.183 0.00 0.00 +0.003 A ATOM 27 C LIG 1 4.312 -0.189 1.064 0.00 0.00 +0.005 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 8 28 ATOM 28 N LIG 1 -2.241 0.124 -0.268 0.00 0.00 -0.324 N ATOM 29 H LIG 1 -1.731 0.993 -0.164 0.00 0.00 +0.148 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.602 0.238 0.278 0.00 0.00 +0.072 C ATOM 31 C LIG 1 -3.601 0.369 1.799 0.00 0.00 +0.028 C BRANCH 30 32 ATOM 32 C LIG 1 -4.551 -0.865 -0.189 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -4.758 -1.000 -1.724 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -6.231 -1.342 -1.424 0.00 0.00 +0.001 C ATOM 35 C LIG 1 -6.072 -0.547 -0.113 0.00 0.00 +0.005 C ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 8 28 BRANCH 2 36 ATOM 36 C LIG 1 0.445 0.995 -1.808 0.00 0.00 +0.160 C BRANCH 36 37 ATOM 37 C LIG 1 0.333 2.162 -0.848 0.00 0.00 -0.025 A ATOM 38 C LIG 1 -0.454 3.264 -1.217 0.00 0.00 +0.044 A ATOM 39 C LIG 1 -0.564 4.370 -0.376 0.00 0.00 +0.135 A ATOM 40 F LIG 1 -1.335 5.395 -0.763 0.00 0.00 -0.205 F ATOM 41 C LIG 1 0.106 4.424 0.841 0.00 0.00 +0.090 A ATOM 42 C LIG 1 0.905 3.335 1.210 0.00 0.00 +0.015 A ATOM 43 C LIG 1 1.020 2.220 0.372 0.00 0.00 +0.006 A BRANCH 41 44 ATOM 44 C LIG 1 -0.042 5.637 1.708 0.00 0.00 +0.420 C ATOM 45 F LIG 1 -1.330 5.856 2.093 0.00 0.00 -0.166 F ATOM 46 F LIG 1 0.675 5.555 2.867 0.00 0.00 -0.166 F ATOM 47 F LIG 1 0.375 6.781 1.101 0.00 0.00 -0.166 F ENDBRANCH 41 44 ENDBRANCH 36 37 ENDBRANCH 2 36 TORSDOF 10