REMARK  Name = BDB052245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.430   0.610   0.242  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        3.152   1.747   0.523  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        2.765   2.629   0.817  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        4.488   1.482   0.354  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        4.533   0.139  -0.011  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        5.787  -0.447  -0.256  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        6.948   0.340  -0.129  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        6.861   1.684   0.239  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        5.623   2.286   0.491  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        3.255  -0.367  -0.089  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -1.852   0.214   0.446  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -1.022  -0.902   0.283  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        0.367  -0.753   0.216  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.968   0.509   0.315  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.137   1.625   0.479  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.255   1.478   0.545  0.00  0.00    +0.004 A 
BRANCH  11  20
ATOM     17  C   LIG    1       -6.029   0.289  -1.611  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -5.444  -0.689  -0.697  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -3.970  -0.636  -0.702  0.00  0.00    +0.092 C 
ATOM     20  C   LIG    1       -3.363   0.079   0.523  0.00  0.00    +0.033 C 
ATOM     21  C   LIG    1       -3.806  -0.609   1.829  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -5.186  -1.260   1.706  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -6.039  -0.575   0.641  0.00  0.00    +0.084 C 
ENDBRANCH  11  20
ENDBRANCH   1  14
BRANCH   6  24
ATOM     24  C   LIG    1        5.891  -1.872  -0.625  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        5.280  -2.759  -0.047  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        6.741  -2.160  -1.661  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        6.694  -3.111  -2.004  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        7.026  -1.442  -2.312  0.00  0.00    +0.145 HD
ENDBRANCH   6  24
TORSDOF 3