REMARK Name = BDB026008 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.774 -0.531 0.946 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.073 0.640 0.575 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.316 0.616 0.408 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.054 -0.567 0.607 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.335 -1.717 0.969 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.978 -2.876 1.180 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.050 -1.710 1.134 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.515 -0.587 0.438 0.00 0.00 +0.021 A ATOM 9 C LIG 1 4.349 0.423 0.872 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.694 0.433 0.727 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 6.266 -0.613 0.114 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.547 -1.650 -0.344 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 4.205 -1.614 -0.173 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.639 -0.643 -0.025 0.00 0.00 -0.295 N ATOM 15 C LIG 1 8.194 -1.663 -0.917 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.722 -1.515 -0.978 0.00 0.00 +0.179 C ATOM 17 O LIG 1 10.159 -0.237 -1.465 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.228 0.825 -1.199 0.00 0.00 +0.179 C ATOM 19 C LIG 1 8.388 0.614 0.072 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -3.780 -2.249 0.959 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -2.929 -1.277 0.110 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.177 -0.453 1.092 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -2.667 -0.776 2.450 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -4.032 -1.421 2.222 0.00 0.00 +0.039 C BRANCH 20 25 ATOM 25 N LIG 1 -4.993 -2.853 0.388 0.00 0.00 -0.298 NA ATOM 26 C LIG 1 -4.673 -4.015 -0.440 0.00 0.00 +0.105 C BRANCH 25 28 ATOM 27 C LIG 1 -7.374 -2.379 0.166 0.00 0.00 +0.024 C ATOM 28 C LIG 1 -5.962 -1.920 -0.222 0.00 0.00 +0.051 C ATOM 29 C LIG 1 -5.878 -1.756 -1.746 0.00 0.00 +0.024 C ENDBRANCH 25 28 ENDBRANCH 20 25 ENDBRANCH 1 22 BRANCH 2 30 ATOM 30 N LIG 1 -0.874 1.786 0.386 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.862 1.579 0.531 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.475 3.060 0.078 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.671 3.473 -0.047 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.621 4.006 -0.047 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.636 3.927 -1.093 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.623 4.846 -1.120 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.686 5.924 -0.102 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.589 6.749 -0.110 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.676 5.924 0.826 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.705 6.672 1.510 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.662 4.998 0.857 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.531 2.853 -2.130 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.298 2.779 -2.685 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.816 1.633 -1.608 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.405 3.038 -3.154 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 8