REMARK  Name = BDB051655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.932   0.350  -0.330  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.355  -0.077  -0.006  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1       -1.466   0.435  -0.835  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -1.768   1.928  -0.585  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -2.870   2.394  -1.405  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -2.949   3.375  -1.645  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.005   1.648  -1.610  0.00  0.00    +0.244 C 
ATOM      8  C   LIG    1       -3.972   0.236  -1.137  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -5.160  -0.502  -1.114  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.159  -1.811  -0.633  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.978  -2.379  -0.152  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -2.787  -1.643  -0.159  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1       -1.516  -2.218   0.403  0.00  0.00    +0.054 C 
ATOM     14  O   LIG    1       -4.997   2.132  -2.140  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.769  -0.340  -0.688  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -0.682  -1.085   1.005  0.00  0.00    +0.113 C 
ATOM     17  O   LIG    1        1.111   1.188  -1.221  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        5.084  -0.234  -1.883  0.00  0.00    +0.109 C 
ATOM     19  C   LIG    1        3.784  -0.628  -1.233  0.00  0.00    +0.213 C 
ATOM     20  N   LIG    1        3.400   0.098  -0.131  0.00  0.00    -0.290 N 
ATOM     21  C   LIG    1        2.118  -0.166   0.523  0.00  0.00    +0.162 C 
ATOM     22  C   LIG    1        2.185   0.629   1.834  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        3.667   0.939   2.019  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1        4.181   1.076   0.597  0.00  0.00    +0.108 C 
ATOM     25  O   LIG    1        3.116  -1.569  -1.662  0.00  0.00    -0.276 OA
ENDBRANCH   1  21
TORSDOF 1