REMARK  Name = BDB047326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.231   0.807   2.621  0.00  0.00    +0.070 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -7.485  -0.343  -1.799  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1       -6.292  -0.514  -0.966  0.00  0.00    -0.304 NA
ATOM      4  C   LIG    1       -5.154   0.235  -1.543  0.00  0.00    +0.098 C 
ATOM      5  C   LIG    1       -3.917   0.260  -0.631  0.00  0.00    +0.111 C 
ATOM      6  C   LIG    1       -4.076  -0.684   0.550  0.00  0.00    +0.086 C 
ATOM      7  N   LIG    1       -2.944  -0.528   1.438  0.00  0.00    -0.331 N 
ATOM      8  H   LIG    1       -2.791  -1.250   2.135  0.00  0.00    +0.147 HD
ATOM      9  C   LIG    1       -2.325   0.684   1.575  0.00  0.00    +0.088 C 
ATOM     10  N   LIG    1       -2.595   1.730   0.866  0.00  0.00    -0.170 NA
ATOM     11  C   LIG    1       -5.388  -0.474   1.317  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -3.589   1.643  -0.083  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1       -4.138   2.652  -0.517  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -6.545  -0.063   0.404  0.00  0.00    +0.086 C 
ENDBRANCH   1   9
BRANCH   1  15
ATOM     15  C   LIG    1        0.074   0.161   2.156  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.713   0.916   0.981  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.951   0.271   0.512  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        3.083   0.487   1.428  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1        4.313  -0.321   0.973  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        4.606  -0.147  -0.497  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1        3.661   0.362  -1.308  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1        2.296   0.774  -0.831  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.934  -0.552  -1.002  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        6.644   0.259  -1.901  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        7.908  -0.118  -2.364  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.482  -1.310  -1.932  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.794  -2.125  -1.036  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.530  -1.747  -0.573  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5