REMARK  Name = BDB014300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.127   0.719   0.628  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -3.249   2.105   0.858  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -4.299   2.732   0.741  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -2.009   2.729   1.246  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -0.804   2.074   1.367  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        0.173   3.018   1.745  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -0.473   4.234   1.855  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -0.751   0.669   1.091  0.00  0.00    +0.008 A 
ATOM      9  N   LIG    1       -1.801   4.047   1.548  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -2.521   4.759   1.536  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.903   0.047   0.740  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.469  -0.160   1.170  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        0.989  -0.775   0.024  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        2.149  -1.551   0.112  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.779  -1.749   1.346  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.268  -1.135   2.488  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.122  -0.340   2.399  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  C   LIG    1        2.652  -2.219  -1.108  0.00  0.00    +0.246 C 
ATOM     19  N   LIG    1        3.988  -2.054  -1.469  0.00  0.00    -0.304 N 
ATOM     20  C   LIG    1        4.495  -2.829  -2.587  0.00  0.00    +0.132 C 
ATOM     21  C   LIG    1        4.837  -0.960  -1.014  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        1.857  -2.912  -1.740  0.00  0.00    -0.270 OA
ENDBRANCH  14  18
ENDBRANCH   8  12
BRANCH   1  23
ATOM     23  C   LIG    1       -4.310  -0.017   0.182  0.00  0.00    +0.129 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.547   0.091  -1.332  0.00  0.00    +0.048 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.678  -0.141  -2.997  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -3.549  -0.693  -2.144  0.00  0.00    -0.033 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 5