REMARK  Name = BDB051456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.616   0.514   0.037  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -2.206   1.731   0.295  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -1.721   2.570   0.576  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.563   1.617   0.134  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.759   0.288  -0.225  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -5.070  -0.167  -0.469  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -6.131   0.748  -0.337  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.897   2.076   0.027  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.601   2.541   0.272  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.545  -0.374  -0.273  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        2.603  -0.333   0.280  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.141   0.991   0.283  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        0.773   1.285   0.202  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -0.174   0.257   0.119  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.288  -1.067   0.110  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.656  -1.360   0.191  0.00  0.00    +0.011 A 
BRANCH  11  20
ATOM     17  C   LIG    1        7.339   0.513   0.702  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        6.133  -0.264   0.550  0.00  0.00    -0.274 N 
ATOM     19  N   LIG    1        4.947   0.363   0.511  0.00  0.00    -0.171 NA
ATOM     20  C   LIG    1        4.041  -0.620   0.365  0.00  0.00    +0.093 A 
ATOM     21  C   LIG    1        4.697  -1.883   0.314  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        6.039  -1.615   0.436  0.00  0.00    +0.108 A 
ENDBRANCH  11  20
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1       -5.361  -1.567  -0.858  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -6.507  -1.951  -1.062  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1       -4.301  -2.417  -0.985  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -4.468  -3.373  -1.259  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -3.349  -2.095  -0.826  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 3