REMARK  Name = BDB060769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.737   0.726   0.569  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.742   0.108  -0.070  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        3.960   0.697  -0.062  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        4.190   1.895   0.574  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        3.106   2.453   1.198  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1        1.884   1.894   1.209  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        5.020  -0.017  -0.769  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        6.392   0.319  -0.991  0.00  0.00    +0.098 A 
ATOM      9  C   LIG    1        6.975  -0.711  -1.729  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        8.317  -0.675  -2.107  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        9.033   0.447  -1.703  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        8.389   1.433  -0.971  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1        5.998  -1.649  -1.955  0.00  0.00    -0.359 N 
ATOM     14  H   LIG    1        6.131  -2.510  -2.466  0.00  0.00    +0.165 HD
ATOM     15  N   LIG    1        7.092   1.416  -0.597  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        4.821  -1.244  -1.385  0.00  0.00    +0.095 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  N   LIG    1        0.515   0.063   0.511  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        0.638  -0.796  -0.004  0.00  0.00    +0.155 HD
BRANCH  17  21
ATOM     19  C   LIG    1       -3.112  -0.459   1.234  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1       -1.794  -0.599   0.750  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -0.747   0.289   1.071  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1       -1.045   1.359   1.910  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -2.328   1.515   2.434  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.341   0.610   2.107  0.00  0.00    +0.023 A 
BRANCH  19  29
ATOM     25  C   LIG    1       -7.554   0.197  -1.097  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1       -6.616  -0.760  -0.515  0.00  0.00    -0.302 NA
ATOM     27  C   LIG    1       -6.436  -0.501   0.932  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -5.388  -1.437   1.583  0.00  0.00    +0.120 C 
ATOM     29  N   LIG    1       -4.091  -1.389   0.874  0.00  0.00    -0.327 N 
ATOM     30  C   LIG    1       -4.260  -1.647  -0.577  0.00  0.00    +0.120 C 
ATOM     31  C   LIG    1       -5.302  -0.682  -1.194  0.00  0.00    +0.103 C 
ENDBRANCH  19  29
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 4