REMARK  Name = BDB065248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.892   0.566  -0.352  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -3.094   0.781   0.782  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -1.741   0.439   0.734  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.168  -0.117  -0.437  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -1.968  -0.308  -1.570  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1       -1.492  -0.801  -2.715  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1       -0.185  -1.104  -2.741  0.00  0.00    +0.234 A 
ATOM      8  N   LIG    1        0.675  -0.978  -1.721  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1        0.184  -0.498  -0.570  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -3.314   0.030  -1.508  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -6.055   0.718  -1.363  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -5.214   0.916  -0.235  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1       -3.723   1.317   1.876  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -2.924   1.664   2.998  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   7  15
ATOM     15  C   LIG    1        0.340  -1.624  -3.976  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1        0.761  -2.046  -4.976  0.00  0.00    -0.188 NA
ENDBRANCH   7  15
BRANCH   9  17
ATOM     17  N   LIG    1        1.048  -0.357   0.539  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        0.644  -0.884   1.310  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.465  -0.719   0.335  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1        3.135  -0.853   1.707  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        4.616  -1.207   1.562  0.00  0.00    +0.082 C 
ATOM     22  N   LIG    1        5.265  -0.597   0.404  0.00  0.00    -0.316 NA
ATOM     23  H   LIG    1        6.250  -0.425   0.606  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        4.609   0.634  -0.017  0.00  0.00    +0.082 C 
ATOM     25  C   LIG    1        3.190   0.347  -0.507  0.00  0.00    +0.037 C 
ENDBRANCH  17  19
ENDBRANCH   9  17
TORSDOF 5