REMARK Name = BDB010556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.415 -0.763 -0.674 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.042 -0.803 -0.853 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -0.401 -2.027 -0.395 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.737 -2.613 0.140 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.759 -3.810 0.746 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -0.441 -4.391 0.787 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.609 -3.919 0.292 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.606 -2.716 -0.327 0.00 0.00 +0.101 A ATOM 9 N LIG 1 1.834 -1.827 -0.033 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.531 -5.715 1.444 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.719 -6.342 1.487 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.593 -6.014 1.112 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -1.524 -7.502 2.126 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.378 -8.343 2.357 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -0.201 -7.588 2.478 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 0.421 -6.385 2.008 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -2.878 -2.273 -0.879 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.102 -2.268 -2.265 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -4.326 -1.841 -2.781 0.00 0.00 +0.042 A ATOM 20 CL LIG 1 -4.567 -1.814 -4.484 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -5.350 -1.431 -1.931 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -5.152 -1.455 -0.552 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.927 -1.880 -0.031 0.00 0.00 +0.010 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 3.431 0.525 -0.285 0.00 0.00 +0.102 C ATOM 25 N LIG 1 2.172 0.297 -1.084 0.00 0.00 -0.293 N ATOM 26 C LIG 1 2.409 0.359 -2.552 0.00 0.00 +0.136 C ATOM 27 C LIG 1 3.840 -0.062 -2.899 0.00 0.00 +0.179 C ATOM 28 O LIG 1 4.818 0.828 -2.351 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 4.419 1.401 -1.094 0.00 0.00 +0.182 C BRANCH 24 30 ATOM 30 C LIG 1 3.055 1.174 1.069 0.00 0.00 +0.027 C BRANCH 30 32 ATOM 31 C LIG 1 4.727 2.818 2.053 0.00 0.00 +0.007 C ATOM 32 C LIG 1 4.241 1.365 2.038 0.00 0.00 -0.015 C ATOM 33 C LIG 1 3.837 0.963 3.461 0.00 0.00 +0.007 C ENDBRANCH 30 32 ENDBRANCH 24 30 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 -0.779 0.284 -1.360 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.557 1.044 -0.266 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.672 1.912 -0.887 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.236 3.361 -1.082 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.852 4.036 0.247 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.018 4.840 0.825 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -1.334 3.030 1.290 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.607 1.869 0.623 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 7