REMARK  Name = BDB053708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.715   0.814   0.786  0.00  0.00    +0.041 A 
ATOM      2  N   LIG    1       -0.966   2.073   0.249  0.00  0.00    -0.312 N 
ATOM      3  C   LIG    1        0.243   2.757   0.111  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        1.254   1.944   0.628  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        2.572   2.422   0.648  0.00  0.00    +0.121 A 
ATOM      6  N   LIG    1        2.872   3.651   0.168  0.00  0.00    -0.263 NA
ATOM      7  C   LIG    1        1.873   4.424  -0.299  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        0.540   4.049  -0.348  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.647   0.729   1.057  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.307  -0.407   1.688  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        2.307  -1.056   0.957  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.929  -2.216   1.595  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.273  -2.593   0.949  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.189  -2.747  -0.515  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        3.531  -3.499  -0.721  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.660  -1.499  -1.096  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.294  -1.099  -0.512  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.999  -0.742   2.830  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.239   2.605  -0.101  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.296   2.546   0.814  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.540   3.078   0.471  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.729   3.668  -0.778  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.674   3.733  -1.688  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.426   3.206  -1.352  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  C   LIG    1       -1.742  -0.285   0.931  0.00  0.00    +0.090 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.431  -3.176   1.822  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -1.377  -2.774   0.373  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -1.523  -1.433  -0.045  0.00  0.00    -0.039 A 
ATOM     29  C   LIG    1       -1.510  -1.151  -1.426  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.316  -2.159  -2.370  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.141  -3.472  -1.951  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.174  -3.777  -0.591  0.00  0.00    +0.003 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4