REMARK  Name = BDB011189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.585   2.108  -0.391  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.240   1.755  -0.628  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -1.495   2.499  -1.474  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1       -0.185   2.227  -1.611  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        0.421   1.159  -0.991  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.342   0.276  -0.246  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.320  -0.932   0.143  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.730  -0.952   0.303  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        2.295  -1.998   0.632  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        2.404   0.233  -0.016  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        1.870   0.980  -1.059  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        2.465   1.495  -1.999  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.686   0.638   0.051  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.478   0.007   1.037  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.799   0.378   1.273  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.360   1.416   0.545  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        3.774   0.452   0.429  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.576   1.489  -0.088  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        5.885   1.718   0.372  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        6.417   0.926   1.387  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        5.637  -0.076   1.947  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        4.334  -0.297   1.482  0.00  0.00    +0.026 A 
BRANCH  19  23
ATOM     23  C   LIG    1        6.671   2.775  -0.195  0.00  0.00    +0.099 C 
ATOM     24  N   LIG    1        7.313   3.633  -0.641  0.00  0.00    -0.191 NA
ENDBRANCH  19  23
ENDBRANCH  10  17
BRANCH   7  25
ATOM     25  C   LIG    1       -0.299  -2.262   0.009  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1       -1.514  -2.482  -0.904  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -2.061  -3.819  -0.416  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -1.919  -3.730   1.097  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -0.608  -2.980   1.334  0.00  0.00    +0.025 C 
ENDBRANCH   7  25
BRANCH   1  31
ATOM     30  C   LIG    1       -5.410   3.567  -0.944  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.056   3.178  -1.122  0.00  0.00    -0.493 OA
ENDBRANCH   1  31
TORSDOF 4