REMARK  Name = BDB052855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.727  -1.694  -0.109  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -0.978  -0.335  -0.291  0.00  0.00    +0.059 A 
ATOM      3  N   LIG    1        0.242   0.302  -0.316  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1        0.379   1.299  -0.420  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1        1.282  -0.585  -0.169  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        0.701  -1.833  -0.041  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.218   0.433  -0.413  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1       -3.231   0.317   0.546  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.399   1.076   0.441  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.564   1.960  -0.624  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.563   2.084  -1.585  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.395   1.325  -1.480  0.00  0.00    +0.010 A 
ENDBRANCH   2   7
BRANCH   5  13
ATOM     13  C   LIG    1        2.670  -0.133  -0.182  0.00  0.00    +0.092 A 
ATOM     14  N   LIG    1        2.810   1.209  -0.234  0.00  0.00    -0.213 NA
ATOM     15  C   LIG    1        4.060   1.676  -0.262  0.00  0.00    +0.213 A 
ATOM     16  N   LIG    1        5.160   0.921  -0.213  0.00  0.00    -0.223 NA
ATOM     17  C   LIG    1        4.973  -0.410  -0.163  0.00  0.00    +0.116 A 
ATOM     18  C   LIG    1        3.735  -1.002  -0.145  0.00  0.00    +0.049 A 
BRANCH  15  19
ATOM     19  N   LIG    1        4.231   3.043  -0.298  0.00  0.00    -0.327 N 
ATOM     20  H   LIG    1        5.140   3.280   0.076  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        3.429   3.505   0.105  0.00  0.00    +0.145 HD
ENDBRANCH  15  19
ENDBRANCH   5  13
BRANCH   1  25
ATOM     22  N   LIG    1       -1.291  -3.932   0.511  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -2.012  -4.618   0.690  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -0.455  -3.964   1.073  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -1.727  -2.758  -0.039  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -2.891  -2.657  -0.409  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 4