REMARK  Name = BDB021632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.776   0.149   2.385  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.309  -0.661   1.624  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.677  -1.865   1.334  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        1.265  -2.895   0.490  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        2.651  -3.245   0.996  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        3.642  -2.468   0.345  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        3.597  -1.108   0.449  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        4.755  -0.532  -0.119  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        4.982   0.852  -0.151  0.00  0.00    -0.013 A 
ATOM     10  C   LIG    1        4.000   1.671   0.407  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.844   1.117   0.967  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.613  -0.277   0.995  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        6.202   1.416  -0.746  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        7.474   0.944  -0.413  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        8.637   1.415  -0.927  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        8.538   2.418  -1.823  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        7.335   2.968  -2.227  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.157   2.459  -1.680  0.00  0.00    +0.011 A 
ENDBRANCH   9  13
BRANCH   3  19
ATOM     19  C   LIG    1       -0.651  -2.129   1.913  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.833  -1.756   0.990  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.705  -2.474  -0.246  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.044  -1.991  -0.773  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -1.945  -0.226   0.751  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.171   0.295   0.116  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.338   0.229   1.012  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.615   0.742   0.376  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.742   0.830  -1.022  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.944   1.278  -1.586  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.023   1.612  -0.769  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.909   1.508   0.615  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.563   0.505  -1.905  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.712   1.072   1.186  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.490  -0.318  -1.176  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6