REMARK Name = BDB008792 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.616 -0.935 -0.670 0.00 0.00 +0.163 A ATOM 2 N LIG 1 0.362 -0.472 -0.283 0.00 0.00 -0.314 N ATOM 3 C LIG 1 -0.588 -1.098 -1.070 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.149 -1.964 -1.857 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.381 -2.829 -2.733 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.714 -2.773 -2.750 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.529 -1.954 -2.031 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.977 -1.064 -1.182 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.482 -1.845 -1.621 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 3.904 -2.796 -0.292 0.00 0.00 +0.046 C ATOM 11 C LIG 1 4.017 -1.336 0.071 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.907 -0.484 -0.111 0.00 0.00 +0.109 A ATOM 13 N LIG 1 2.929 0.843 0.167 0.00 0.00 -0.252 NA ATOM 14 C LIG 1 4.087 1.361 0.610 0.00 0.00 +0.112 A ATOM 15 C LIG 1 5.236 0.618 0.803 0.00 0.00 +0.024 A ATOM 16 C LIG 1 5.225 -0.761 0.545 0.00 0.00 -0.038 A BRANCH 16 17 ATOM 17 C LIG 1 6.503 -1.580 0.729 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.222 -1.748 -0.612 0.00 0.00 +0.012 C ATOM 19 C LIG 1 7.484 -1.030 1.776 0.00 0.00 +0.012 C ENDBRANCH 16 17 ENDBRANCH 1 12 BRANCH 6 20 ATOM 20 C LIG 1 -2.448 -3.725 -3.657 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -1.950 -4.539 -4.413 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -3.797 -3.560 -3.523 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -3.970 -2.856 -2.855 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.774 -0.186 -0.461 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.325 0.718 -0.365 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.199 -0.083 -0.785 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.605 1.396 -0.734 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -5.077 -0.866 0.198 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.887 -0.655 1.729 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.305 -2.130 1.905 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.792 -2.373 0.470 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.084 0.358 0.886 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.323 1.780 0.563 0.00 0.00 -0.025 A ATOM 34 C LIG 1 -1.210 2.442 1.427 0.00 0.00 +0.047 A ATOM 35 C LIG 1 -1.612 3.755 1.173 0.00 0.00 +0.165 A ATOM 36 F LIG 1 -2.474 4.309 2.034 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -1.137 4.453 0.064 0.00 0.00 +0.165 A ATOM 38 C LIG 1 -0.233 3.805 -0.784 0.00 0.00 +0.049 A ATOM 39 C LIG 1 0.175 2.489 -0.537 0.00 0.00 +0.009 A BRANCH 37 40 ATOM 40 O LIG 1 -1.442 5.728 -0.314 0.00 0.00 -0.403 OA BRANCH 40 41 ATOM 41 C LIG 1 -2.381 6.453 0.463 0.00 0.00 +0.575 C ATOM 42 F LIG 1 -1.927 6.654 1.716 0.00 0.00 -0.133 F ATOM 43 F LIG 1 -2.555 7.665 -0.112 0.00 0.00 -0.133 F ATOM 44 F LIG 1 -3.580 5.833 0.483 0.00 0.00 -0.133 F ENDBRANCH 40 41 ENDBRANCH 37 40 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11