REMARK Name = BDB008811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.918 -1.242 0.464 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -1.539 -1.338 0.633 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.998 -2.404 1.329 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.361 -2.330 1.383 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 0.698 -1.238 0.722 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -1.719 -3.392 1.874 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -3.032 -3.248 1.656 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.437 -0.612 0.228 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -3.647 -2.245 0.984 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.083 -0.820 0.493 0.00 0.00 +0.018 A ATOM 11 C LIG 1 2.537 0.462 0.820 0.00 0.00 +0.012 A ATOM 12 C LIG 1 3.865 0.829 0.582 0.00 0.00 +0.004 A ATOM 13 C LIG 1 4.774 -0.082 0.024 0.00 0.00 -0.044 A ATOM 14 C LIG 1 4.321 -1.373 -0.279 0.00 0.00 +0.004 A ATOM 15 C LIG 1 2.993 -1.738 -0.041 0.00 0.00 +0.012 A BRANCH 13 16 ATOM 16 C LIG 1 6.213 0.339 -0.219 0.00 0.00 +0.019 C ATOM 17 C LIG 1 7.199 -0.477 0.636 0.00 0.00 +0.008 C ATOM 18 C LIG 1 8.642 -0.041 0.392 0.00 0.00 +0.001 C ATOM 19 C LIG 1 9.007 -0.103 -1.088 0.00 0.00 +0.000 C ATOM 20 C LIG 1 8.033 0.702 -1.943 0.00 0.00 +0.001 C ATOM 21 C LIG 1 6.587 0.268 -1.710 0.00 0.00 +0.008 C ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -3.513 -0.180 -0.197 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -3.079 0.701 0.055 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -5.660 0.119 1.024 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -4.971 -0.046 -0.327 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -5.594 -1.105 -1.243 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -6.189 -2.447 -0.721 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -7.248 -2.326 -1.835 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -7.024 -0.803 -1.783 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -3.909 -4.323 2.245 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -3.543 -5.330 2.831 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -5.233 -4.091 2.087 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -5.655 -4.864 2.514 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.453 0.508 -0.705 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C LIG 1 -0.847 1.838 -0.094 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -1.165 2.891 -0.967 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -1.538 4.145 -0.476 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.591 4.383 0.903 0.00 0.00 +0.055 A ATOM 39 C LIG 1 -1.274 3.336 1.778 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -0.900 2.081 1.287 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -2.016 5.730 1.437 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -1.446 6.034 2.635 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.362 5.804 1.631 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.700 6.759 0.602 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10