REMARK Name = BDB024318 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.614 0.440 0.233 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.632 1.950 0.415 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.865 2.792 -0.686 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.849 4.179 -0.533 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.602 4.742 0.717 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.374 3.920 1.819 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.388 2.532 1.669 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.809 -0.198 0.358 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.855 0.614 -0.020 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.673 1.579 -0.265 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.924 -1.377 0.705 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 3.216 0.320 -0.056 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.973 1.364 -0.456 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 5.317 1.178 -0.523 0.00 0.00 +0.123 A ATOM 15 C LIG 1 5.966 -0.010 -0.214 0.00 0.00 +0.022 A ATOM 16 C LIG 1 5.154 -1.071 0.192 0.00 0.00 +0.015 A ATOM 17 C LIG 1 3.767 -0.908 0.273 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 7.414 -0.150 -0.306 0.00 0.00 +0.114 A ATOM 19 N LIG 1 8.049 -1.306 -0.034 0.00 0.00 -0.152 NA ATOM 20 N LIG 1 9.339 -0.984 -0.235 0.00 0.00 -0.186 N ATOM 21 C LIG 1 10.384 -1.965 -0.076 0.00 0.00 +0.197 C ATOM 22 N LIG 1 9.618 0.269 -0.632 0.00 0.00 -0.160 NA ATOM 23 C LIG 1 8.395 0.805 -0.671 0.00 0.00 +0.164 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.505 -0.230 1.210 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.186 -1.198 1.312 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.922 -0.185 0.837 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -2.796 -1.938 -1.044 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -3.475 -1.516 0.264 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -4.986 -1.439 0.088 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.820 -2.248 0.873 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -7.209 -2.191 0.732 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.797 -1.317 -0.193 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -6.965 -0.513 -0.983 0.00 0.00 +0.012 A ATOM 34 C LIG 1 -5.576 -0.570 -0.842 0.00 0.00 +0.004 A BRANCH 32 35 ATOM 35 C LIG 1 -9.295 -1.272 -0.362 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -9.753 -0.050 -0.755 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -9.738 -2.154 -1.300 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -9.974 -1.570 0.782 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9