REMARK  Name = BDB053710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.626   0.741   0.961  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.155   1.937   0.469  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -0.103   2.764   0.068  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        1.092   2.078   0.305  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        2.311   2.708   0.014  0.00  0.00    +0.121 A 
ATOM      6  N   LIG    1        2.342   3.957  -0.501  0.00  0.00    -0.263 NA
ATOM      7  C   LIG    1        1.179   4.610  -0.684  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -0.073   4.084  -0.410  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.758   0.814   0.870  0.00  0.00    +0.108 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.698  -0.190   1.340  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.456  -0.851   0.381  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.253  -0.763  -1.070  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        2.624  -2.072  -1.790  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        3.988  -2.560  -1.530  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.621  -2.239  -2.263  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.509  -2.119  -0.225  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.428  -1.848   0.834  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.815  -0.413   2.542  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.549   2.238   0.353  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -3.445   1.835   1.352  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.807   2.120   1.230  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.283   2.800   0.112  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.399   3.195  -0.890  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.035   2.916  -0.774  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.450  -0.238   1.368  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -1.953  -1.295  -1.294  0.00  0.00    +0.050 C 
ATOM     27  C   LIG    1       -1.372  -2.102  -0.171  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -1.145  -1.551   1.099  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1       -0.671  -2.340   2.149  0.00  0.00    +0.085 A 
ATOM     30  C   LIG    1       -0.355  -3.671   1.910  0.00  0.00    +0.130 A 
ATOM     31  F   LIG    1        0.121  -4.427   2.908  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -0.519  -4.230   0.652  0.00  0.00    +0.077 A 
ATOM     33  C   LIG    1       -1.028  -3.442  -0.374  0.00  0.00    +0.132 A 
ATOM     34  F   LIG    1       -1.189  -3.996  -1.585  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4