REMARK Name = BDB027699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.693 -0.868 0.226 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.272 -2.205 0.134 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.076 -2.382 -0.181 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.514 -3.696 -0.263 0.00 0.00 +0.139 A ATOM 5 N LIG 1 0.754 -4.807 -0.073 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.543 -4.601 0.209 0.00 0.00 +0.111 A ATOM 7 N LIG 1 1.918 -1.362 -0.402 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.413 -0.121 -0.327 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -1.098 -3.340 0.322 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.138 0.159 -0.023 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.319 1.012 -0.589 0.00 0.00 +0.022 A ATOM 12 C LIG 1 3.678 0.817 -0.878 0.00 0.00 +0.031 A ATOM 13 C LIG 1 4.490 1.915 -1.116 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.053 3.190 -1.089 0.00 0.00 -0.263 NA ATOM 15 C LIG 1 2.747 3.373 -0.813 0.00 0.00 +0.111 A ATOM 16 C LIG 1 1.860 2.338 -0.561 0.00 0.00 +0.031 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 -2.051 -0.587 0.549 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -2.306 -1.114 1.380 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.123 1.615 1.798 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.518 0.822 0.574 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -2.684 1.569 -0.731 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -3.897 1.090 0.008 0.00 0.00 +0.027 C ENDBRANCH 17 20 ENDBRANCH 1 17 TORSDOF 3