REMARK  Name = BDB018921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.660   0.487   0.836  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -0.705   0.325   0.502  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -1.621  -0.270   1.390  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.966  -0.447   1.011  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.431  -0.022  -0.240  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1       -2.524   0.582  -1.114  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -1.184  -0.742   2.751  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.107  -0.061   3.179  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.183   0.747  -0.748  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.132  -0.184   2.062  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        4.586  -0.186  -0.944  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        3.311   0.001  -0.396  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        2.788   1.296  -0.162  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        3.566   2.419  -0.523  0.00  0.00    +0.073 A 
ATOM     15  N   LIG    1        3.141   3.682  -0.374  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1        1.909   3.882   0.135  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        1.067   2.863   0.526  0.00  0.00    +0.044 A 
ATOM     18  C   LIG    1        4.827   2.214  -1.065  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        1.504   1.541   0.395  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1        5.348   0.933  -1.276  0.00  0.00    +0.017 A 
BRANCH  11  21
ATOM     21  C   LIG    1        5.073  -1.578  -1.142  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        4.465  -2.566  -0.761  0.00  0.00    -0.245 OA
BRANCH  21  24
ATOM     23  C   LIG    1        6.793  -2.885  -2.029  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        6.263  -1.579  -1.794  0.00  0.00    -0.464 OA
ENDBRANCH  21  24
ENDBRANCH  11  21
ENDBRANCH   1  19
BRANCH   5  25
ATOM     25  C   LIG    1       -4.820  -0.192  -0.628  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -5.654  -1.203  -0.196  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1       -6.856  -1.002  -0.811  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1       -8.045  -1.806  -0.679  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -6.871   0.073  -1.619  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -5.632   0.561  -1.510  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
TORSDOF 4