REMARK  Name = BDB021473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.129  -0.488  -2.812  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.387  -1.258  -1.885  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.504  -2.264  -1.532  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.309  -3.127  -0.379  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -0.097  -2.284   0.864  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        1.278  -2.041   1.099  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.033  -1.445   0.131  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        3.337  -1.192   0.601  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        4.296  -0.568  -0.192  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1        3.985  -0.228  -1.498  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        2.697  -0.477  -1.980  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        1.698  -1.086  -1.182  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.735  -2.430  -2.313  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.999  -1.867  -1.625  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -4.152  -2.422  -2.276  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -4.148  -3.381  -2.121  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -3.045  -0.318  -1.690  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.071   0.388  -0.893  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -3.845   0.284   0.554  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -4.912   0.972   1.383  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -6.169   1.279   0.832  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -7.146   1.895   1.625  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.888   2.181   2.965  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.652   1.858   3.521  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.437   1.007  -0.628  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -4.669   1.255   2.736  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.444   0.005  -1.231  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  O   LIG    1        5.535  -0.395   0.355  0.00  0.00    -0.489 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.067   0.931   0.231  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1        6.268   1.497   1.637  0.00  0.00    +0.072 C 
ATOM     31  C   LIG    1        7.015   2.819   1.566  0.00  0.00    +0.163 C 
ATOM     32  O   LIG    1        8.265   2.655   0.894  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        8.105   2.212  -0.453  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1        7.410   0.860  -0.496  0.00  0.00    +0.072 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7