REMARK  Name = BDB009210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.247  -0.230   0.160  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.147  -0.454  -0.679  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.010  -1.086  -0.192  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.056  -1.474   1.156  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.027  -1.225   2.002  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.176  -0.601   1.509  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.661  -0.066   0.084  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        3.596  -0.844   0.725  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.463   0.413  -0.418  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.312   1.258  -1.290  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        5.872  -1.435   1.344  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1        6.074  -0.340   0.325  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.976   0.326  -0.274  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        5.223   1.350  -1.199  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        6.527   1.708  -1.551  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        7.607   1.047  -0.981  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        7.377   0.033  -0.051  0.00  0.00    +0.122 A 
BRANCH  17  18
ATOM     18  O   LIG    1        8.444  -0.616   0.511  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        9.263  -0.259   0.128  0.00  0.00    +0.292 HD
ENDBRANCH  17  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.188  -1.319  -1.110  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.071  -0.080  -1.247  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.353   0.016  -0.477  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.865  -1.143   0.332  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -6.314  -0.974   0.804  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.573   0.445   1.294  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.295   1.462   0.185  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.018   1.182  -0.559  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -4.503   2.278  -1.419  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -5.074   3.360  -1.499  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.369   1.996  -2.129  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.986   2.737  -2.708  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.634   0.857  -2.037  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5