REMARK  Name = BDB009025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.356   1.970  -0.420  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.146   1.621   0.840  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.226   2.316   1.411  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.781   3.395   0.712  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.287   3.744  -0.545  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.227   3.031  -1.111  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.051   1.281  -2.145  0.00  0.00    +0.234 C 
ATOM      8  N   LIG    1        1.450   1.235  -0.898  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        1.831   0.500  -0.304  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.677   1.944  -3.108  0.00  0.00    -0.274 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.356   0.436  -2.171  0.00  0.00    +0.140 C 
ATOM     12  C   LIG    1        3.812   0.128  -3.601  0.00  0.00    +0.034 C 
BRANCH  11  13
ATOM     13  N   LIG    1        3.237  -0.735  -1.235  0.00  0.00    -0.292 NA
BRANCH  13  14
ATOM     14  C   LIG    1        4.538  -1.044  -0.603  0.00  0.00    +0.085 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.170  -0.444   1.227  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1        4.867  -0.066   0.534  0.00  0.00    +0.012 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
BRANCH  13  17
ATOM     17  C   LIG    1        2.678  -1.958  -1.853  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.214  -1.835  -2.304  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1        0.694  -3.160  -2.851  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -1.767   1.906   2.761  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.280   0.466   2.771  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.613   0.147   2.167  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.534   1.239   1.699  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.972   0.758   1.482  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.996  -0.557   0.710  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.225  -1.647   1.460  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.946  -1.154   2.079  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.031  -2.189   2.625  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.284  -3.386   2.554  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -1.898  -1.726   3.237  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -1.254  -2.424   3.596  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -1.487  -0.429   3.284  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 9