REMARK Name = BDB026959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.282 0.829 1.483 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 0.224 0.047 0.527 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.073 -0.350 -0.042 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.371 0.137 0.337 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -3.316 -0.514 -0.454 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -4.694 -0.277 -0.347 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -5.149 0.662 0.598 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.209 1.324 1.401 0.00 0.00 +0.009 A ATOM 9 N LIG 1 -2.631 -1.366 -1.286 0.00 0.00 -0.360 N ATOM 10 H LIG 1 -3.065 -1.974 -1.967 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 -2.834 1.073 1.283 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -1.285 -1.276 -1.050 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 -6.587 0.942 0.739 0.00 0.00 -0.015 A ATOM 14 C LIG 1 -7.501 -0.083 1.006 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -8.846 0.230 1.130 0.00 0.00 +0.111 A ATOM 16 N LIG 1 -9.341 1.478 1.005 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 -8.449 2.457 0.749 0.00 0.00 +0.111 A ATOM 18 C LIG 1 -7.086 2.243 0.611 0.00 0.00 +0.028 A ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 1.523 -0.542 -0.089 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 1.796 -1.963 0.390 0.00 0.00 -0.023 A ATOM 21 C LIG 1 2.334 -2.903 -0.505 0.00 0.00 +0.005 A ATOM 22 C LIG 1 2.603 -4.209 -0.092 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.352 -4.590 1.223 0.00 0.00 +0.000 A ATOM 24 C LIG 1 1.840 -3.664 2.129 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.571 -2.356 1.720 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 2.702 0.303 0.230 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.660 0.513 1.230 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 2.708 1.563 -0.523 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 3.986 2.377 -0.256 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.199 1.854 -0.992 0.00 0.00 -0.046 A ATOM 31 C LIG 1 5.631 2.471 -2.177 0.00 0.00 +0.006 A ATOM 32 C LIG 1 6.745 1.982 -2.861 0.00 0.00 +0.038 A ATOM 33 C LIG 1 7.424 0.876 -2.365 0.00 0.00 +0.123 A ATOM 34 F LIG 1 8.492 0.407 -3.025 0.00 0.00 -0.205 F ATOM 35 C LIG 1 7.011 0.248 -1.197 0.00 0.00 +0.038 A ATOM 36 C LIG 1 5.899 0.737 -0.511 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 2 19 TORSDOF 8