REMARK  Name = BDB028338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.298  -4.160  -1.506  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.383  -3.649  -0.509  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1        0.342  -2.376   0.015  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.733  -2.387   0.896  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -1.216  -3.713   0.865  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.532  -4.487   0.023  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.222  -1.247   1.650  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.488  -0.028   1.004  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -1.941   1.077   1.734  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.163   0.946   3.103  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.678   2.096   3.863  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -2.927   3.235   3.139  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.286   4.039   3.644  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -2.700   3.405   1.809  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -2.876   2.025   5.071  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.916  -0.270   3.753  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -2.218   2.405   1.128  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.444  -1.363   3.026  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -1.958   2.640  -0.359  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.192   2.401  -1.111  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -3.538   1.460  -0.934  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -3.909   3.036  -0.753  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.280  -1.324  -0.353  0.00  0.00    +0.090 A 
ATOM     24  N   LIG    1        1.382  -1.105  -1.683  0.00  0.00    -0.245 NA
ATOM     25  C   LIG    1        2.199  -0.123  -2.103  0.00  0.00    +0.072 A 
ATOM     26  C   LIG    1        2.949   0.671  -1.210  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.789   1.687  -1.698  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        3.887   1.921  -3.068  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.148   1.143  -3.952  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.827   0.413   0.160  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        2.315   0.132  -3.463  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1        1.980  -0.598   0.598  0.00  0.00    +0.030 A 
ENDBRANCH   3  23
TORSDOF 4