REMARK Name = BDB056010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.087 0.370 0.717 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -1.948 0.945 -0.515 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -2.698 1.137 -1.171 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 -0.688 1.301 -0.815 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 0.028 0.947 0.268 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -0.821 0.357 1.251 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 1.476 1.178 0.339 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.257 0.612 1.356 0.00 0.00 +0.010 A ATOM 9 C LIG 1 3.637 0.844 1.412 0.00 0.00 +0.006 A ATOM 10 C LIG 1 4.265 1.651 0.456 0.00 0.00 -0.030 A ATOM 11 C LIG 1 3.493 2.210 -0.568 0.00 0.00 +0.006 A ATOM 12 C LIG 1 2.115 1.976 -0.623 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 5.753 1.873 0.505 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 N LIG 1 6.453 0.732 -0.041 0.00 0.00 -0.295 N ATOM 15 H LIG 1 6.048 0.339 -0.876 0.00 0.00 +0.151 HD ATOM 16 C LIG 1 7.832 0.708 0.011 0.00 0.00 +0.304 C ATOM 17 N LIG 1 8.319 -0.420 -0.612 0.00 0.00 -0.269 N ATOM 18 H LIG 1 7.631 -1.134 -0.795 0.00 0.00 +0.156 HD ATOM 19 O LIG 1 8.484 1.583 0.563 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 9.668 -0.764 -0.832 0.00 0.00 +0.036 A ATOM 21 C LIG 1 10.739 0.102 -0.599 0.00 0.00 +0.043 A ATOM 22 C LIG 1 12.046 -0.320 -0.855 0.00 0.00 +0.043 A ATOM 23 CL LIG 1 13.363 0.751 -0.569 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 12.299 -1.599 -1.346 0.00 0.00 +0.020 A ATOM 25 C LIG 1 11.235 -2.465 -1.586 0.00 0.00 +0.003 A ATOM 26 C LIG 1 9.926 -2.047 -1.333 0.00 0.00 +0.023 A ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 27 ATOM 27 N LIG 1 -3.275 -0.064 1.207 0.00 0.00 -0.285 N ATOM 28 H LIG 1 -3.330 -0.256 2.202 0.00 0.00 +0.155 HD BRANCH 27 34 ATOM 29 C LIG 1 -6.048 2.081 -2.113 0.00 0.00 +0.088 C ATOM 30 C LIG 1 -5.901 1.200 -0.912 0.00 0.00 +0.130 A ATOM 31 N LIG 1 -7.018 0.649 -0.410 0.00 0.00 -0.218 NA ATOM 32 C LIG 1 -6.894 -0.184 0.632 0.00 0.00 +0.127 A ATOM 33 C LIG 1 -5.652 -0.418 1.198 0.00 0.00 +0.087 A ATOM 34 C LIG 1 -4.549 0.207 0.645 0.00 0.00 +0.129 A ATOM 35 N LIG 1 -4.662 0.987 -0.444 0.00 0.00 -0.217 NA BRANCH 32 36 ATOM 36 N LIG 1 -8.036 -0.787 1.190 0.00 0.00 -0.313 N ATOM 37 C LIG 1 -8.018 -2.267 1.166 0.00 0.00 +0.121 C ATOM 38 C LIG 1 -8.480 -2.825 -0.201 0.00 0.00 +0.100 C ATOM 39 N LIG 1 -9.809 -2.330 -0.616 0.00 0.00 -0.313 NA ATOM 40 H LIG 1 -10.491 -2.620 0.085 0.00 0.00 +0.122 HD ATOM 41 C LIG 1 -9.775 -0.849 -0.631 0.00 0.00 +0.100 C ATOM 42 C LIG 1 -9.322 -0.230 0.714 0.00 0.00 +0.121 C ENDBRANCH 32 36 ENDBRANCH 27 34 ENDBRANCH 1 27 TORSDOF 7