REMARK Name = BDB005474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.735 0.964 -0.038 0.00 0.00 +0.146 A ATOM 2 N LIG 1 0.841 -0.022 -0.468 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.382 0.574 -0.452 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.790 0.252 -0.747 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.416 1.563 -0.399 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.465 2.547 -0.001 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.624 3.731 0.240 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.201 1.849 -0.028 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.098 2.100 0.246 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.814 1.804 -0.519 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -4.484 2.721 0.309 0.00 0.00 +0.163 A ATOM 12 F LIG 1 -3.840 3.308 1.330 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.855 2.951 0.167 0.00 0.00 +0.078 A ATOM 14 CL LIG 1 -6.672 4.062 1.200 0.00 0.00 -0.081 Cl ATOM 15 C LIG 1 -6.587 2.263 -0.797 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -5.947 1.330 -1.609 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -4.575 1.097 -1.466 0.00 0.00 +0.026 A ENDBRANCH 5 10 BRANCH 1 19 ATOM 18 C LIG 1 4.081 0.989 -0.908 0.00 0.00 +0.149 A ATOM 19 C LIG 1 3.176 0.802 0.143 0.00 0.00 +0.062 A ATOM 20 C LIG 1 3.658 0.539 1.431 0.00 0.00 +0.039 A ATOM 21 C LIG 1 5.028 0.408 1.632 0.00 0.00 +0.056 A ATOM 22 N LIG 1 5.917 0.547 0.621 0.00 0.00 -0.255 NA ATOM 23 C LIG 1 5.429 0.839 -0.611 0.00 0.00 +0.157 A BRANCH 18 25 ATOM 24 C LIG 1 4.471 1.822 -3.097 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.569 1.267 -2.146 0.00 0.00 -0.493 OA ENDBRANCH 18 25 BRANCH 21 26 ATOM 26 C LIG 1 5.581 0.101 3.001 0.00 0.00 +0.173 C BRANCH 26 27 ATOM 27 C LIG 1 5.234 -1.257 3.438 0.00 0.00 +0.069 C ATOM 28 N LIG 1 4.937 -2.321 3.794 0.00 0.00 -0.196 NA ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 1 19 BRANCH 4 29 ATOM 29 C LIG 1 -2.329 -0.905 0.076 0.00 0.00 -0.021 A ATOM 30 C LIG 1 -2.410 -0.837 1.479 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -2.904 -1.913 2.220 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -3.324 -3.077 1.573 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.245 -3.159 0.179 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.752 -2.082 -0.563 0.00 0.00 +0.007 A BRANCH 32 35 ATOM 35 C LIG 1 -3.833 -4.183 2.330 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.246 -5.083 2.934 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 4 29 BRANCH 2 37 ATOM 37 C LIG 1 1.089 -1.420 -0.800 0.00 0.00 +0.083 C ATOM 38 C LIG 1 1.478 -2.252 0.421 0.00 0.00 +0.030 C ATOM 39 C LIG 1 2.054 -1.630 -1.964 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 8