REMARK  Name = BDB007651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.262  -1.324  -0.791  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.635  -0.833   0.136  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.284  -0.213   0.856  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.076  -1.739  -1.895  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        4.443  -1.232   0.217  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        4.028  -1.240  -1.114  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.663  -1.273  -1.424  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        1.701  -1.288  -0.407  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        2.117  -1.295   0.928  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        3.481  -1.263   1.232  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        5.733  -1.196   0.665  0.00  0.00    -0.488 OA
BRANCH  11  15
ATOM     12  C   LIG    1        8.769   1.911  -0.606  0.00  0.00    +0.105 C 
ATOM     13  N   LIG    1        8.461   0.489  -0.645  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        7.030   0.232  -0.854  0.00  0.00    +0.128 C 
ATOM     15  C   LIG    1        6.790  -1.184  -0.301  0.00  0.00    +0.189 C 
ATOM     16  C   LIG    1        8.091  -1.526   0.433  0.00  0.00    +0.061 C 
ATOM     17  C   LIG    1        8.784  -0.186   0.611  0.00  0.00    +0.088 C 
ENDBRANCH  11  15
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  C   LIG    1       -2.036  -0.654  -0.216  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.258   0.666  -0.965  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.077   1.755  -0.038  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -2.956   1.861   0.382  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.660   0.789  -1.600  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.705   0.965  -0.563  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -5.458  -0.294  -0.360  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -6.611  -0.152   0.611  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -7.198   1.102   0.850  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -8.287   1.206   1.725  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.810   0.068   2.337  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.245  -1.180   2.085  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.613   2.339   0.218  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.152  -1.291   1.224  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.661   2.022  -0.944  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8