REMARK Name = BDB034464 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.017 2.168 -1.135 0.00 0.00 -0.343 N ATOM 2 H LIG 1 0.640 1.861 -0.231 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.749 1.121 -1.731 0.00 0.00 +0.038 A ATOM 4 C LIG 1 2.503 0.221 -0.918 0.00 0.00 +0.021 A ATOM 5 C LIG 1 3.241 -0.796 -1.567 0.00 0.00 +0.073 A ATOM 6 C LIG 1 3.963 -1.706 -0.806 0.00 0.00 +0.040 A ATOM 7 C LIG 1 3.999 -1.655 0.596 0.00 0.00 +0.057 A ATOM 8 C LIG 1 3.297 -0.638 1.242 0.00 0.00 +0.013 A ATOM 9 N LIG 1 3.292 -0.930 -2.897 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 2.628 -0.028 -3.642 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.561 0.284 0.496 0.00 0.00 +0.012 A ATOM 12 C LIG 1 1.870 1.002 -3.116 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 4.820 -2.651 1.373 0.00 0.00 +0.417 C ATOM 14 F LIG 1 6.123 -2.273 1.486 0.00 0.00 -0.166 F ATOM 15 F LIG 1 4.372 -2.832 2.647 0.00 0.00 -0.166 F ATOM 16 F LIG 1 4.835 -3.889 0.807 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 17 ATOM 17 C LIG 1 -0.056 2.861 -1.849 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 C LIG 1 -1.325 2.008 -1.941 0.00 0.00 +0.034 C BRANCH 18 19 ATOM 19 C LIG 1 -2.035 1.804 -0.594 0.00 0.00 +0.083 C BRANCH 19 20 ATOM 20 N LIG 1 -1.205 1.053 0.352 0.00 0.00 -0.312 NA ATOM 21 H LIG 1 -0.978 0.142 -0.051 0.00 0.00 +0.122 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.857 0.854 1.648 0.00 0.00 +0.116 C BRANCH 22 26 ATOM 23 F LIG 1 -3.384 -3.778 1.353 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -3.685 -2.478 1.461 0.00 0.00 +0.124 A ATOM 25 C LIG 1 -2.659 -1.539 1.502 0.00 0.00 +0.043 A ATOM 26 C LIG 1 -2.962 -0.174 1.615 0.00 0.00 -0.031 A ATOM 27 C LIG 1 -4.309 0.217 1.684 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -5.331 -0.735 1.643 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -5.017 -2.088 1.531 0.00 0.00 +0.038 A ENDBRANCH 22 26 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 8