REMARK Name = BDB065080 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.791 0.872 0.252 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -2.664 1.471 0.683 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -2.411 2.709 0.208 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -3.256 3.355 -0.684 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -2.964 4.697 -1.163 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.856 5.312 -0.734 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -0.911 4.656 0.209 0.00 0.00 +0.253 A ATOM 8 O LIG 1 0.093 5.277 0.555 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -4.370 2.641 -1.076 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -1.233 3.379 0.637 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -4.659 1.401 -0.632 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -4.754 -0.630 1.977 0.00 0.00 +0.229 A ATOM 13 C LIG 1 -4.091 -0.447 0.773 0.00 0.00 +0.102 A ATOM 14 C LIG 1 -3.742 -1.616 0.099 0.00 0.00 +0.062 A ATOM 15 N LIG 1 -4.054 -2.841 0.601 0.00 0.00 -0.239 NA ATOM 16 C LIG 1 -4.695 -2.888 1.772 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -5.067 -1.837 2.499 0.00 0.00 -0.201 NA BRANCH 14 18 ATOM 18 C LIG 1 -3.013 -1.584 -1.234 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -1.534 -1.264 -1.273 0.00 0.00 +0.010 C ATOM 20 C LIG 1 -2.000 -2.658 -1.578 0.00 0.00 +0.010 C ENDBRANCH 14 18 BRANCH 12 22 ATOM 21 C LIG 1 -5.752 0.227 3.924 0.00 0.00 +0.279 C ATOM 22 O LIG 1 -5.130 0.509 2.674 0.00 0.00 -0.479 OA ENDBRANCH 12 22 ENDBRANCH 1 13 BRANCH 10 23 ATOM 23 C LIG 1 -0.301 2.664 1.502 0.00 0.00 +0.167 C BRANCH 23 24 ATOM 24 C LIG 1 0.572 1.637 0.820 0.00 0.00 +0.043 A ATOM 25 C LIG 1 1.148 0.627 1.602 0.00 0.00 +0.132 A ATOM 26 F LIG 1 0.904 0.587 2.920 0.00 0.00 -0.205 F ATOM 27 C LIG 1 1.986 -0.348 1.058 0.00 0.00 +0.050 A ATOM 28 C LIG 1 2.287 -0.320 -0.304 0.00 0.00 +0.023 A ATOM 29 C LIG 1 1.725 0.682 -1.102 0.00 0.00 +0.050 A ATOM 30 C LIG 1 0.891 1.651 -0.540 0.00 0.00 +0.132 A ATOM 31 F LIG 1 0.395 2.593 -1.358 0.00 0.00 -0.205 F BRANCH 28 32 ATOM 32 C LIG 1 3.152 -1.328 -0.908 0.00 0.00 +0.142 A ATOM 33 N LIG 1 4.503 -1.484 -0.664 0.00 0.00 -0.327 N ATOM 34 C LIG 1 4.939 -2.550 -1.412 0.00 0.00 +0.120 A ATOM 35 C LIG 1 3.842 -2.994 -2.130 0.00 0.00 +0.162 A ATOM 36 N LIG 1 2.747 -2.205 -1.810 0.00 0.00 -0.224 NA BRANCH 35 37 ATOM 37 C LIG 1 3.761 -4.120 -3.122 0.00 0.00 +0.436 C ATOM 38 F LIG 1 3.560 -3.673 -4.391 0.00 0.00 -0.164 F ATOM 39 F LIG 1 2.759 -4.996 -2.845 0.00 0.00 -0.164 F ATOM 40 F LIG 1 4.911 -4.848 -3.150 0.00 0.00 -0.164 F ENDBRANCH 35 37 BRANCH 33 41 ATOM 41 C LIG 1 5.350 -0.652 0.191 0.00 0.00 +0.083 C ATOM 42 C LIG 1 6.495 -0.006 -0.597 0.00 0.00 +0.030 C ATOM 43 C LIG 1 5.877 -1.441 1.391 0.00 0.00 +0.030 C ENDBRANCH 33 41 ENDBRANCH 28 32 ENDBRANCH 23 24 ENDBRANCH 10 23 TORSDOF 8