REMARK  Name = BDB064195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.815  -0.617  -0.692  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.422  -0.716  -0.512  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.181   0.360   0.140  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.561   0.334   0.342  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.394  -0.724  -0.065  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.763  -1.794  -0.705  0.00  0.00    +0.024 A 
ATOM      7  N   LIG    1       -0.509   1.416   0.580  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -1.839   1.413   0.389  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.383  -1.801  -0.925  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -2.509   0.442  -0.243  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1        3.761  -0.703   0.156  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1        4.355   0.125   1.222  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        5.667  -0.499   1.757  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1        6.704  -0.787   0.744  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        7.722   0.258   0.697  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1        6.108  -0.994  -0.593  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1        4.684  -1.596  -0.565  0.00  0.00    +0.120 C 
ENDBRANCH   5  11
BRANCH   8  18
ATOM     18  C   LIG    1       -2.614   2.565   0.893  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -1.980   3.686   1.465  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1       -2.725   4.767   1.935  0.00  0.00    +0.118 A 
ATOM     21  C   LIG    1       -4.110   4.769   1.854  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -4.764   3.675   1.296  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.023   2.587   0.823  0.00  0.00    +0.012 A 
BRANCH  20  24
ATOM     24  O   LIG    1       -2.119   5.856   2.490  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1       -1.159   5.706   2.489  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
ENDBRANCH   8  18
BRANCH   1  26
ATOM     26  N   LIG    1       -2.498  -1.649  -1.385  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1       -2.029  -1.832  -2.262  0.00  0.00    +0.155 HD
BRANCH  26  33
ATOM     28  C   LIG    1       -6.972  -3.386  -2.588  0.00  0.00    +0.065 C 
ATOM     29  C   LIG    1       -5.785  -2.779  -1.951  0.00  0.00    +0.035 A 
ATOM     30  N   LIG    1       -5.823  -2.226  -0.702  0.00  0.00    -0.280 N 
ATOM     31  H   LIG    1       -6.614  -2.153  -0.071  0.00  0.00    +0.189 HD
ATOM     32  N   LIG    1       -4.646  -1.742  -0.291  0.00  0.00    -0.158 NA
ATOM     33  C   LIG    1       -3.815  -1.950  -1.316  0.00  0.00    +0.146 A 
ATOM     34  C   LIG    1       -4.483  -2.619  -2.373  0.00  0.00    +0.068 A 
ENDBRANCH  26  33
ENDBRANCH   1  26
TORSDOF 5