REMARK  Name = BDB009282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.838   0.373  -2.221  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.552   0.447  -2.080  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.313  -0.728  -2.010  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        0.659  -1.964  -2.136  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.727  -2.029  -2.306  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.480  -0.858  -2.353  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.546   2.301  -3.293  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.617   1.624  -2.271  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -2.366   1.996  -1.154  0.00  0.00    -0.291 N 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.236   1.371   0.166  0.00  0.00    +0.143 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.106   0.152   0.364  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1       -2.589  -0.969   1.032  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.379  -2.100   1.246  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.700  -2.121   0.806  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.232  -1.011   0.155  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.443   0.121  -0.061  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
BRANCH   9  17
ATOM     17  C   LIG    1       -3.100   3.256  -1.231  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.217   4.477  -0.961  0.00  0.00    +0.174 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.978   5.676  -1.056  0.00  0.00    -0.393 OA
ATOM     20  H   LIG    1       -3.200   5.796  -1.997  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   9  17
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        2.815  -0.657  -1.851  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.344  -1.513  -0.703  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1        3.325  -0.974   0.694  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        2.779   0.396   0.988  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        2.558   0.658   2.481  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        3.724   0.139   3.311  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        3.919  -1.364   3.101  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        3.821  -1.771   1.656  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        4.323  -3.126   1.316  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1        4.757  -3.888   2.173  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        4.269  -3.469  -0.007  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1        4.611  -4.390  -0.261  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        3.795  -2.692  -1.016  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8