REMARK Name = BDB062708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.143 0.161 2.193 0.00 0.00 -0.293 N ATOM 2 C LIG 1 1.083 -0.732 2.323 0.00 0.00 +0.247 C ATOM 3 O LIG 1 1.173 -1.815 2.894 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.226 -0.323 1.730 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.250 -1.279 1.652 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.501 -0.949 1.114 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.718 0.372 0.698 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -1.701 1.338 0.771 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -0.435 0.991 1.274 0.00 0.00 -0.026 A ATOM 10 C LIG 1 0.692 1.985 1.390 0.00 0.00 +0.055 C ATOM 11 C LIG 1 2.038 1.282 1.269 0.00 0.00 +0.113 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.003 2.679 0.311 0.00 0.00 +0.026 A ATOM 13 C LIG 1 -2.143 3.031 -1.020 0.00 0.00 +0.044 A ATOM 14 C LIG 1 -2.032 2.233 -2.269 0.00 0.00 +0.066 C ATOM 15 N LIG 1 -2.441 4.371 -1.007 0.00 0.00 -0.271 N ATOM 16 C LIG 1 -2.695 5.222 -2.146 0.00 0.00 +0.172 C ATOM 17 N LIG 1 -2.475 4.906 0.227 0.00 0.00 -0.176 NA ATOM 18 C LIG 1 -2.230 3.873 1.041 0.00 0.00 +0.068 A ATOM 19 C LIG 1 -2.217 4.075 2.511 0.00 0.00 +0.068 C ENDBRANCH 8 12 BRANCH 1 20 ATOM 20 C LIG 1 3.475 -0.254 2.621 0.00 0.00 +0.143 C BRANCH 20 25 ATOM 21 C LIG 1 6.054 -0.599 -0.174 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.787 -1.890 -0.628 0.00 0.00 +0.091 A ATOM 23 C LIG 1 4.779 -2.660 -0.036 0.00 0.00 +0.124 A ATOM 24 C LIG 1 4.040 -2.131 1.023 0.00 0.00 +0.051 A ATOM 25 C LIG 1 4.296 -0.834 1.493 0.00 0.00 -0.023 A ATOM 26 C LIG 1 5.306 -0.077 0.883 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 7.798 -0.238 -1.747 0.00 0.00 +0.277 C ATOM 28 O LIG 1 7.005 0.250 -0.673 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 4.618 -3.905 -0.582 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 3.565 -4.704 -0.055 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 C LIG 1 -3.595 -1.992 1.041 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -4.348 -1.924 -0.196 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -3.853 -2.246 -1.468 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -2.665 -2.571 -1.830 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -2.047 -2.546 -1.018 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -4.969 -2.146 -2.303 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -4.940 -2.506 -3.698 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -6.093 -1.830 -1.559 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -5.718 -1.691 -0.280 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 7