REMARK  Name = BDB016479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.842  -2.665   3.102  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.655  -1.703   2.299  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.113  -0.879   1.319  0.00  0.00    +0.125 A 
ATOM      4  N   LIG    1       -1.869   0.000   0.641  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -3.188   0.035   0.908  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.804  -0.729   1.825  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -3.016  -1.581   2.501  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.995   1.028   0.180  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -5.205   0.725  -0.499  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.926   1.775  -1.110  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.456   3.088  -1.094  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.257   3.384  -0.463  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.539   2.367   0.165  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.751  -0.700  -0.589  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.951  -0.882   0.343  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -6.117  -1.105  -2.024  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.273  -0.937   1.068  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        0.530  -1.904   0.888  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.738  -0.051  -0.000  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.264  -0.159  -0.139  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        2.744   0.583  -1.404  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        4.138   1.198  -1.255  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1        4.966   0.323  -0.424  0.00  0.00    -0.329 N 
ATOM     24  C   LIG    1        4.515   0.176   0.969  0.00  0.00    +0.105 C 
ATOM     25  C   LIG    1        3.000   0.373   1.099  0.00  0.00    +0.024 C 
BRANCH  23  26
ATOM     26  C   LIG    1        6.313   0.139  -0.730  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        7.317  -0.046   0.231  0.00  0.00    +0.133 A 
ATOM     28  N   LIG    1        8.640  -0.246  -0.016  0.00  0.00    -0.261 NA
ATOM     29  C   LIG    1        9.008  -0.286  -1.308  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.117  -0.143  -2.353  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        6.768   0.062  -2.054  0.00  0.00    +0.026 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6