REMARK  Name = BDB027553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.855  -2.001  -1.832  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.616  -1.705  -1.300  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.561  -2.448  -1.718  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.732  -1.789  -0.975  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.055  -1.351   0.328  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.319  -0.884  -0.135  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -2.030  -2.886  -2.666  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.314   0.158  -0.501  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -4.188   0.852  -0.952  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -3.053   0.159  -1.390  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -3.033  -1.237  -1.361  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -4.162  -1.941  -0.938  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -5.294  -1.244  -0.505  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.739   2.140   0.079  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1       -6.494   0.781  -0.046  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1       -7.245   0.160   0.229  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -5.954   3.048  -0.170  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -8.452   3.883   0.731  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -8.148   2.402   0.589  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        2.816  -2.730  -0.737  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        2.980  -3.408  -1.476  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.058  -2.158  -0.501  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        4.161  -0.994   0.155  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        5.385  -0.490   0.363  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1        6.538  -1.133  -0.088  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        7.813  -0.585   0.140  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        7.928   0.619   0.828  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        6.787   1.275   1.288  0.00  0.00    +0.122 A 
ATOM     29  C   LIG    1        6.319  -2.322  -0.762  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        5.530   0.712   1.049  0.00  0.00    +0.074 A 
ATOM     31  N   LIG    1        5.099  -2.845  -0.981  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  O   LIG    1        7.032   2.447   1.949  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1        5.902   3.152   2.452  0.00  0.00    +0.277 C 
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6