REMARK Name = BDB058717 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.329 -1.849 0.675 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.151 -0.348 0.842 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.823 0.708 0.115 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.320 1.922 0.578 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -1.740 3.168 0.090 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.708 3.174 -0.913 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.231 1.988 -1.414 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -3.256 4.678 -1.548 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -0.377 1.633 1.526 0.00 0.00 -0.349 N ATOM 10 H LIG 1 0.185 2.320 2.013 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.793 0.755 -0.913 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.253 0.277 1.715 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 0.712 -0.222 2.660 0.00 0.00 +0.354 C ATOM 14 O LIG 1 1.492 0.448 3.319 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 0.670 -1.557 2.791 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 1.364 -1.762 3.449 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -3.748 -2.082 1.114 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -3.468 -1.755 2.031 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.743 -2.261 0.174 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -2.954 -2.689 -0.961 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -5.786 -1.650 -0.233 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -5.160 -2.442 0.926 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -5.311 -3.951 0.678 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -5.918 -2.083 2.218 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.274 -2.429 -0.171 0.00 0.00 -0.284 N ATOM 26 C LIG 1 0.126 -3.720 0.108 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -0.244 -4.398 1.059 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 0.057 -1.840 -1.467 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 1.141 -0.788 -1.385 0.00 0.00 -0.030 A ATOM 30 C LIG 1 2.319 -1.000 -0.654 0.00 0.00 +0.009 A ATOM 31 C LIG 1 3.304 -0.008 -0.572 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.131 1.209 -1.228 0.00 0.00 +0.121 A ATOM 33 C LIG 1 1.976 1.413 -1.984 0.00 0.00 +0.046 A ATOM 34 C LIG 1 0.992 0.426 -2.068 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 O LIG 1 4.003 2.261 -1.227 0.00 0.00 -0.489 OA BRANCH 35 36 ATOM 36 C LIG 1 5.135 2.206 -0.356 0.00 0.00 +0.173 C ATOM 37 C LIG 1 6.320 1.523 -1.034 0.00 0.00 +0.044 C ATOM 38 C LIG 1 6.859 2.567 -2.010 0.00 0.00 +0.004 C ATOM 39 C LIG 1 6.441 3.925 -1.449 0.00 0.00 +0.004 C ATOM 40 C LIG 1 5.655 3.632 -0.174 0.00 0.00 +0.044 C ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 10