REMARK  Name = BDB060923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.100  -0.132  -0.282  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -0.614  -1.113   0.396  0.00  0.00    +0.126 A 
ATOM      3  N   LIG    1       -1.937  -0.682   0.343  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1       -1.949   0.501  -0.385  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1       -3.204   1.139  -0.595  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -4.348   0.607  -0.102  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -4.283  -0.648   0.660  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.100  -1.254   0.860  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -0.742   0.847  -0.768  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.613   1.242  -0.306  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.713   0.697  -0.927  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -7.014  -0.596  -1.569  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.722   1.610  -0.923  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -7.297   2.771  -0.306  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -6.029   2.547   0.065  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -5.269   3.603   0.775  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   2  17
ATOM     17  N   LIG    1       -0.252  -2.250   1.067  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -0.914  -2.605   1.756  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.431  -3.382   0.418  0.00  0.00    +0.066 C 
ATOM     20  C   LIG    1        1.898  -3.425   0.826  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        0.236  -3.467  -1.092  0.00  0.00    +0.027 C 
ENDBRANCH  17  19
ENDBRANCH   2  17
BRANCH   1  22
ATOM     22  C   LIG    1        1.567   0.036  -0.481  0.00  0.00    +0.063 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.266   0.511   0.795  0.00  0.00    +0.041 C 
BRANCH  23  27
ATOM     24  C   LIG    1        6.514   1.056   0.181  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        6.032  -0.081   0.833  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.662  -0.260   1.038  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.750   0.703   0.592  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        4.236   1.841  -0.064  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.609   2.018  -0.267  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1        8.414   2.250  -0.600  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        7.874   1.105   0.047  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7