REMARK  Name = BDB001139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.257   0.189   0.623  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1       -1.165   0.098  -0.382  0.00  0.00    -0.243 NA
ATOM      3  C   LIG    1       -2.462   0.443  -0.131  0.00  0.00    +0.102 A 
ATOM      4  C   LIG    1       -2.825   0.878   1.169  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -4.138   1.227   1.452  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -5.133   1.162   0.483  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -4.801   0.743  -0.796  0.00  0.00    +0.015 A 
ATOM      8  N   LIG    1       -1.929   0.968   2.167  0.00  0.00    -0.251 NA
ATOM      9  C   LIG    1       -3.476   0.388  -1.106  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1       -0.655   0.618   1.877  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.778  -0.964  -0.366  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        2.687  -1.643  -0.907  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.379  -1.265  -0.585  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.124  -0.197   0.292  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        2.236   0.480   0.824  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        3.548   0.102   0.500  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.144  -0.766  -0.246  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.999  -1.433  -0.762  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1       -3.223  -0.040  -2.515  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -4.141  -0.168  -3.318  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -1.938  -0.278  -2.901  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -1.755  -0.582  -3.846  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -1.170  -0.204  -2.237  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 3