REMARK Name = BDB025848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.249 0.325 -0.052 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.270 1.148 0.558 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.075 0.725 0.623 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.508 -0.454 0.006 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.551 -1.224 -0.652 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.892 -2.384 -1.238 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.793 -0.852 -0.674 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.995 -1.770 -1.787 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.514 -1.021 -0.535 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.924 -1.913 0.496 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.812 -3.018 0.866 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.528 -1.125 1.701 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.380 -1.831 2.438 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.158 0.369 1.424 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.626 0.599 0.061 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.535 0.105 -1.002 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.928 -0.853 0.075 0.00 0.00 -0.039 C ATOM 18 C LIG 1 3.622 -0.812 1.415 0.00 0.00 +0.051 C ATOM 19 C LIG 1 4.936 -1.612 1.413 0.00 0.00 +0.090 C ATOM 20 N LIG 1 5.757 -1.251 0.244 0.00 0.00 -0.291 NA ATOM 21 C LIG 1 5.055 -1.649 -0.992 0.00 0.00 +0.112 C ATOM 22 C LIG 1 3.607 -1.245 -1.019 0.00 0.00 -0.007 C BRANCH 20 23 ATOM 23 C LIG 1 7.056 -1.952 0.312 0.00 0.00 +0.108 C ATOM 24 C LIG 1 7.986 -1.296 1.350 0.00 0.00 +0.181 C ATOM 25 O LIG 1 9.050 -1.190 0.362 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.063 -1.362 -0.694 0.00 0.00 +0.181 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 27 ATOM 27 N LIG 1 -0.514 2.399 1.164 0.00 0.00 -0.280 N ATOM 28 H LIG 1 0.128 2.670 1.900 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.442 3.374 0.956 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -1.587 4.242 1.821 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.204 3.488 -0.318 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -1.609 3.587 -1.649 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -2.419 3.728 -2.720 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -3.889 3.816 -2.558 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -4.632 3.894 -3.527 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.344 3.824 -1.265 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -5.345 3.926 -1.146 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -3.530 3.668 -0.171 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -0.123 3.644 -1.814 0.00 0.00 +0.418 C ATOM 40 F LIG 1 0.228 4.312 -2.949 0.00 0.00 -0.166 F ATOM 41 F LIG 1 0.434 2.414 -1.926 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.509 4.287 -0.800 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 6