REMARK  Name = BDB058670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.057   3.374  -2.269  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        1.491   2.095  -1.629  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        0.568   1.085  -1.078  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -0.763   1.225  -1.086  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        1.465   0.024  -0.552  0.00  0.00    +0.272 C 
ATOM      6  O   LIG    1        1.121  -0.996   0.015  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1        2.746   0.515  -0.863  0.00  0.00    -0.156 N 
ATOM      8  N   LIG    1        2.742   1.752  -1.502  0.00  0.00    -0.177 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.999  -0.093  -0.591  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1        4.099  -1.333   0.055  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        5.348  -1.914   0.313  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        6.524  -1.264  -0.071  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        6.442  -0.029  -0.716  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        5.191   0.547  -0.971  0.00  0.00    +0.026 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.822  -1.918   0.223  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        7.971  -2.990   0.779  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        8.877  -1.197  -0.195  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        9.649  -1.743   0.062  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   7   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.709   0.292  -0.586  0.00  0.00    +0.129 A 
ATOM     20  O   LIG    1       -2.885   0.722  -0.009  0.00  0.00    -0.455 OA
ATOM     21  C   LIG    1       -3.632  -0.360   0.350  0.00  0.00    +0.138 A 
ATOM     22  C   LIG    1       -2.961  -1.510   0.004  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -1.750  -1.096  -0.603  0.00  0.00    +0.050 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.908  -0.057   0.990  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -6.086  -0.788   0.779  0.00  0.00    +0.137 A 
ATOM     26  C   LIG    1       -7.287  -0.494   1.442  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1       -7.324   0.570   2.339  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.174   1.325   2.562  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.982   1.015   1.896  0.00  0.00    +0.014 A 
BRANCH  25  30
ATOM     30  N   LIG    1       -6.119  -1.872  -0.178  0.00  0.00    +0.057 N 
ATOM     31  O   LIG    1       -6.175  -3.021   0.281  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       -6.116  -1.569  -1.378  0.00  0.00    -0.126 OA
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   4  19
TORSDOF 6