REMARK  Name = BDB008931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.461   2.641  -0.674  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.336   1.805  -1.468  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.580   2.247  -1.949  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.990   3.556  -1.660  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.187   4.400  -0.890  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.035   3.944  -0.398  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.834   0.853   0.216  0.00  0.00    -0.282 N 
ATOM      8  H   LIG    1        0.975   0.322   0.160  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.776   2.190  -0.132  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.666   3.023  -0.008  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.110  -1.441   1.738  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        5.265  -0.087   1.396  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        4.211   0.694   0.891  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.946   0.147   0.720  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        2.756  -1.191   1.065  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        3.817  -1.962   1.568  0.00  0.00    +0.025 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.524  -1.690   2.168  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1        6.160  -2.208   2.255  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1        6.037  -3.665   2.255  0.00  0.00    +0.129 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.441   1.342  -2.803  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.761   0.010  -2.127  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.967  -0.105  -1.250  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.854   1.081  -0.995  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.843   0.867   0.156  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.472  -0.519   0.093  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.401  -1.609   0.158  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.209  -1.313  -0.710  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.281  -2.443  -0.965  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.461  -3.553  -0.476  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.211  -2.167  -1.772  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -1.574  -2.931  -1.973  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -1.939  -0.972  -2.360  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5