REMARK Name = BDB058761 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.364 1.715 -1.392 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.207 0.328 -1.532 0.00 0.00 +0.023 A ATOM 3 C LIG 1 1.083 -0.244 -1.459 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.570 -1.585 -1.556 0.00 0.00 -0.022 A ATOM 5 C LIG 1 2.950 -1.535 -1.423 0.00 0.00 +0.020 A ATOM 6 N LIG 1 3.308 -0.214 -1.230 0.00 0.00 -0.339 N ATOM 7 C LIG 1 3.941 -2.650 -1.452 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.749 -2.810 -1.770 0.00 0.00 +0.046 C ATOM 9 C LIG 1 2.183 0.594 -1.262 0.00 0.00 +0.050 A ATOM 10 C LIG 1 2.039 1.987 -1.136 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.753 2.531 -1.209 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -2.764 1.624 -0.996 0.00 0.00 -0.307 N ATOM 13 H LIG 1 -2.634 0.678 -0.669 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 -1.702 2.363 -1.462 0.00 0.00 +0.244 C ATOM 15 O LIG 1 -1.810 3.504 -1.898 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -4.124 2.085 -1.149 0.00 0.00 +0.143 C BRANCH 16 19 ATOM 17 C LIG 1 -6.310 1.334 1.879 0.00 0.00 +0.121 A ATOM 18 C LIG 1 -5.455 1.973 0.979 0.00 0.00 +0.054 A ATOM 19 C LIG 1 -5.056 1.351 -0.217 0.00 0.00 +0.015 A ATOM 20 C LIG 1 -5.509 0.051 -0.499 0.00 0.00 +0.125 A ATOM 21 C LIG 1 -6.366 -0.587 0.403 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -6.767 0.053 1.584 0.00 0.00 +0.049 A BRANCH 17 24 ATOM 23 C LIG 1 -7.497 1.463 3.935 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -6.617 2.063 2.993 0.00 0.00 -0.495 OA ENDBRANCH 17 24 BRANCH 20 25 ATOM 25 O LIG 1 -5.047 -0.506 -1.663 0.00 0.00 -0.495 OA ATOM 26 C LIG 1 -5.549 -1.787 -2.022 0.00 0.00 +0.277 C ENDBRANCH 20 25 ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 4.678 0.278 -1.073 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 5.244 0.018 0.305 0.00 0.00 -0.027 A ATOM 29 C LIG 1 6.499 -0.599 0.442 0.00 0.00 +0.017 A ATOM 30 C LIG 1 7.058 -0.837 1.710 0.00 0.00 +0.055 A ATOM 31 C LIG 1 6.355 -0.424 2.850 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.115 0.202 2.726 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.566 0.424 1.463 0.00 0.00 +0.005 A BRANCH 30 34 ATOM 34 C LIG 1 8.412 -1.489 1.843 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.720 -2.302 0.793 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.526 -2.264 2.958 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.421 -0.577 1.917 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 8