REMARK  Name = BDB065245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.117   0.153  -0.524  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -5.308   0.395  -1.644  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.921   0.291  -1.515  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -3.322  -0.051  -0.276  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -4.140  -0.267   0.841  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1       -3.651  -0.561   2.046  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1       -2.315  -0.631   2.150  0.00  0.00    +0.234 A 
ATOM      8  N   LIG    1       -1.436  -0.456   1.153  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1       -1.934  -0.189  -0.060  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -5.518  -0.168   0.699  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -8.324   0.026   0.390  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -7.471   0.263  -0.721  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1       -5.960   0.715  -2.807  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -5.173   1.096  -3.927  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   7  15
ATOM     15  C   LIG    1       -1.776  -0.923   3.452  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1       -1.343  -1.157   4.507  0.00  0.00    -0.188 NA
ENDBRANCH   7  15
BRANCH   9  17
ATOM     17  N   LIG    1       -1.052  -0.003  -1.135  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -1.354  -0.585  -1.912  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.408  -0.099  -0.959  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1        0.999   0.940   0.001  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        1.793   0.280   1.128  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1        2.837  -0.651   0.671  0.00  0.00    -0.299 NA
ATOM     23  C   LIG    1        2.404  -1.492  -0.458  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        0.890  -1.523  -0.677  0.00  0.00    +0.037 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.180  -0.053   0.476  0.00  0.00    +0.057 C 
ATOM     26  C   LIG    1        4.667   0.707   1.740  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        6.187   0.849   1.857  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        6.861   0.852   0.497  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1        6.598  -0.452  -0.250  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.251  -1.099   0.093  0.00  0.00    +0.019 C 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   9  17
TORSDOF 6