REMARK Name = BDB008783 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.486 -2.561 -0.175 0.00 0.00 +0.165 A ATOM 2 N LIG 1 -0.778 -1.600 0.536 0.00 0.00 -0.314 N ATOM 3 C LIG 1 0.564 -1.748 0.237 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.587 -2.791 -0.674 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.698 -3.283 -1.239 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.805 -2.667 -0.813 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.882 -1.642 0.067 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.758 -1.133 0.609 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.664 -3.256 -0.940 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -5.931 -3.276 -2.357 0.00 0.00 +0.047 C ATOM 11 C LIG 1 -5.071 -3.168 -1.136 0.00 0.00 -0.012 A ATOM 12 C LIG 1 -3.706 -2.906 -1.257 0.00 0.00 +0.155 A ATOM 13 F LIG 1 -3.170 -2.742 -2.476 0.00 0.00 -0.203 F ATOM 14 C LIG 1 -2.932 -2.783 -0.106 0.00 0.00 +0.141 A ATOM 15 N LIG 1 -3.446 -2.896 1.149 0.00 0.00 -0.249 NA ATOM 16 C LIG 1 -4.770 -3.151 1.241 0.00 0.00 +0.112 A ATOM 17 C LIG 1 -5.612 -3.288 0.146 0.00 0.00 +0.026 A ENDBRANCH 1 14 BRANCH 6 18 ATOM 18 C LIG 1 4.101 -3.168 -1.397 0.00 0.00 +0.375 C ATOM 19 O LIG 1 4.246 -4.087 -2.186 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 5.187 -2.482 -0.966 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 5.933 -2.922 -1.422 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 1.841 -0.070 1.498 0.00 0.00 -0.324 N ATOM 23 H LIG 1 0.999 0.482 1.546 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.048 0.764 1.467 0.00 0.00 +0.072 C ATOM 25 C LIG 1 3.229 1.352 2.870 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 2.884 1.910 0.464 0.00 0.00 +0.009 C ATOM 27 C LIG 1 2.929 1.567 -1.053 0.00 0.00 +0.005 C ATOM 28 C LIG 1 3.630 2.924 -1.262 0.00 0.00 +0.001 C ATOM 29 C LIG 1 4.129 2.802 0.192 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 -1.356 -0.603 1.429 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -1.333 0.806 0.868 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -1.241 1.885 1.762 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.206 3.201 1.295 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.287 3.472 -0.077 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -1.405 2.399 -0.970 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.442 1.082 -0.503 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -1.210 4.892 -0.586 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -1.866 5.076 -1.765 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.073 5.292 -0.802 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.744 5.797 0.282 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9