REMARK Name = BDB024331 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.879 0.094 2.155 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -0.655 0.453 2.635 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -0.709 0.801 3.581 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -2.847 0.362 2.885 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.594 0.464 2.018 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.727 0.199 0.714 0.00 0.00 -0.238 NA ATOM 7 C LIG 1 1.979 0.255 0.182 0.00 0.00 +0.136 A ATOM 8 C LIG 1 3.150 0.598 0.866 0.00 0.00 +0.049 A ATOM 9 C LIG 1 2.959 0.857 2.225 0.00 0.00 +0.028 A ATOM 10 C LIG 1 1.686 0.802 2.804 0.00 0.00 +0.045 A BRANCH 8 11 ATOM 11 N LIG 1 4.426 0.631 0.294 0.00 0.00 -0.318 N ATOM 12 C LIG 1 4.580 0.138 -1.096 0.00 0.00 +0.201 C ATOM 13 C LIG 1 6.030 0.121 -1.623 0.00 0.00 +0.233 C ATOM 14 O LIG 1 6.322 -0.544 -2.620 0.00 0.00 -0.274 OA ATOM 15 N LIG 1 6.964 0.956 -1.012 0.00 0.00 -0.290 N ATOM 16 C LIG 1 6.720 1.448 0.341 0.00 0.00 +0.127 C ATOM 17 C LIG 1 5.253 1.812 0.587 0.00 0.00 +0.124 C BRANCH 15 18 ATOM 18 C LIG 1 8.364 0.861 -1.466 0.00 0.00 +0.221 C BRANCH 18 19 ATOM 19 C LIG 1 9.195 -0.260 -0.834 0.00 0.00 +0.405 C ATOM 20 F LIG 1 9.363 -0.038 0.493 0.00 0.00 -0.169 F ATOM 21 F LIG 1 10.429 -0.306 -1.388 0.00 0.00 -0.169 F ATOM 22 F LIG 1 8.632 -1.476 -0.977 0.00 0.00 -0.169 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 23 ATOM 23 C LIG 1 -2.068 -0.614 0.776 0.00 0.00 +0.171 C BRANCH 23 24 ATOM 24 C LIG 1 -1.658 -2.079 0.851 0.00 0.00 -0.022 A ATOM 25 C LIG 1 -0.699 -2.599 -0.031 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -0.326 -3.943 0.032 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -0.914 -4.788 0.970 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.879 -4.292 1.844 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.251 -2.948 1.783 0.00 0.00 +0.005 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 N LIG 1 -3.506 -0.512 0.392 0.00 0.00 -0.301 NA ATOM 31 H LIG 1 -3.855 0.385 0.732 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.707 -0.610 -1.055 0.00 0.00 +0.089 C BRANCH 32 34 ATOM 33 C LIG 1 -6.006 -1.713 -0.861 0.00 0.00 +0.014 C ATOM 34 C LIG 1 -5.200 -0.557 -1.469 0.00 0.00 +0.030 C BRANCH 34 35 ATOM 35 C LIG 1 -5.816 0.816 -1.224 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -6.389 1.172 0.006 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.927 2.447 0.204 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -6.897 3.389 -0.827 0.00 0.00 +0.052 A ATOM 39 C LIG 1 -6.325 3.050 -2.055 0.00 0.00 +0.019 A ATOM 40 C LIG 1 -5.787 1.775 -2.250 0.00 0.00 +0.005 A BRANCH 38 41 ATOM 41 C LIG 1 -7.446 4.698 -0.625 0.00 0.00 +0.099 C ATOM 42 N LIG 1 -7.888 5.759 -0.466 0.00 0.00 -0.191 NA ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 11