REMARK Name = BDB023426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.373 -1.238 -0.269 0.00 0.00 +0.162 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.509 -2.438 -1.401 0.00 0.00 +0.401 C ATOM 3 N LIG 1 -0.302 -2.425 -0.786 0.00 0.00 -0.270 N ATOM 4 H LIG 1 0.188 -3.314 -0.715 0.00 0.00 +0.153 HD ATOM 5 O LIG 1 -2.245 -1.471 -1.550 0.00 0.00 -0.226 OA BRANCH 2 7 ATOM 6 C LIG 1 -3.003 -3.847 -2.530 0.00 0.00 +0.282 C ATOM 7 O LIG 1 -1.772 -3.695 -1.824 0.00 0.00 -0.454 OA ENDBRANCH 2 7 ENDBRANCH 1 3 BRANCH 1 8 ATOM 8 C LIG 1 1.840 -1.661 -0.002 0.00 0.00 +0.238 C ATOM 9 N LIG 1 2.719 -0.595 0.086 0.00 0.00 -0.284 N ATOM 10 H LIG 1 2.338 0.329 -0.075 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 2.134 -2.851 0.111 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 4.104 -0.641 0.355 0.00 0.00 +0.037 A ATOM 13 C LIG 1 4.793 0.581 0.363 0.00 0.00 +0.069 A ATOM 14 C LIG 1 6.166 0.619 0.618 0.00 0.00 +0.123 A ATOM 15 C LIG 1 6.855 -0.554 0.912 0.00 0.00 +0.046 A ATOM 16 C LIG 1 6.179 -1.772 0.904 0.00 0.00 +0.005 A ATOM 17 C LIG 1 4.811 -1.816 0.622 0.00 0.00 +0.023 A BRANCH 14 18 ATOM 18 O LIG 1 6.885 1.781 0.677 0.00 0.00 -0.483 OA BRANCH 18 19 ATOM 19 C LIG 1 6.757 2.617 -0.485 0.00 0.00 +0.342 C BRANCH 19 20 ATOM 20 C LIG 1 6.118 3.956 -0.152 0.00 0.00 +0.424 C ATOM 21 F LIG 1 6.075 4.743 -1.254 0.00 0.00 -0.167 F ATOM 22 F LIG 1 4.844 3.808 0.280 0.00 0.00 -0.167 F ATOM 23 F LIG 1 6.808 4.626 0.796 0.00 0.00 -0.167 F ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 C LIG 1 -0.318 -0.734 1.006 0.00 0.00 +0.032 C BRANCH 24 25 ATOM 25 C LIG 1 0.029 0.688 1.462 0.00 0.00 +0.003 C BRANCH 25 26 ATOM 26 C LIG 1 -0.143 1.822 0.441 0.00 0.00 +0.009 C BRANCH 26 27 ATOM 27 C LIG 1 -1.431 1.806 -0.380 0.00 0.00 +0.096 C BRANCH 27 28 ATOM 28 C LIG 1 -2.690 1.748 0.468 0.00 0.00 +0.217 C ATOM 29 N LIG 1 -3.640 0.915 -0.084 0.00 0.00 -0.284 N ATOM 30 H LIG 1 -3.397 0.433 -0.943 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 -2.785 2.399 1.504 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 -4.937 0.625 0.392 0.00 0.00 +0.054 A ATOM 33 C LIG 1 -5.682 -0.355 -0.307 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -7.025 -0.561 0.036 0.00 0.00 +0.024 A ATOM 35 C LIG 1 -7.589 0.097 1.128 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -6.827 1.001 1.863 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -5.509 1.272 1.491 0.00 0.00 +0.025 A BRANCH 33 38 ATOM 38 N LIG 1 -5.167 -0.992 -1.460 0.00 0.00 -0.357 N ATOM 39 H LIG 1 -4.171 -1.208 -1.386 0.00 0.00 +0.142 HD ATOM 40 H LIG 1 -5.693 -1.823 -1.710 0.00 0.00 +0.142 HD ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 14