REMARK  Name = BDB046478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.424  -2.268   0.842  0.00  0.00    +0.076 C 
ENDROOT
BRANCH   1   7
ATOM      2  N   LIG    1        3.405  -1.310  -0.872  0.00  0.00    -0.209 N 
ATOM      3  C   LIG    1        3.890  -2.369  -0.111  0.00  0.00    +0.344 A 
ATOM      4  O   LIG    1        5.029  -2.796  -0.031  0.00  0.00    -0.245 OA
ATOM      5  N   LIG    1        2.807  -2.849   0.567  0.00  0.00    -0.293 N 
ATOM      6  H   LIG    1        2.852  -3.589   1.244  0.00  0.00    +0.172 HD
ATOM      7  C   LIG    1        1.778  -2.044   0.247  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1        2.063  -1.111  -0.613  0.00  0.00    -0.154 NA
BRANCH   2   9
ATOM      9  C   LIG    1        4.203  -0.402  -1.658  0.00  0.00    +0.184 C 
BRANCH   9  14
ATOM     10  C   LIG    1        6.121   4.068   1.551  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.641   2.930   0.700  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        6.415   1.773   0.562  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        5.954   0.699  -0.203  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        4.710   0.764  -0.844  0.00  0.00    -0.026 A 
ATOM     15  C   LIG    1        3.924   1.912  -0.680  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        4.385   2.985   0.085  0.00  0.00    +0.004 A 
ENDBRANCH   9  14
ENDBRANCH   2   9
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1       -0.268  -3.447   0.157  0.00  0.00    +0.012 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.629  -3.782   0.775  0.00  0.00    +0.035 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.657  -2.692   0.606  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1       -3.185  -2.401  -0.660  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.129  -1.384  -0.822  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.538  -0.637   0.278  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -4.051  -0.943   1.548  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.107  -1.959   1.712  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -5.470   0.357   0.194  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -5.096   1.544  -0.533  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1       -6.073   2.619  -0.022  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1       -3.663   2.016  -0.227  0.00  0.00    +0.067 C 
BRANCH  26  29
ATOM     29  C   LIG    1       -5.350   1.433  -2.048  0.00  0.00    +0.348 C 
ATOM     30  O   LIG    1       -6.024   0.595  -2.628  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.785   2.428  -2.769  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -5.057   2.231  -3.690  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10