REMARK  Name = BDB064043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.417   0.104   2.292  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.151  -0.098   1.905  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1       -2.045  -0.249   2.888  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -2.093  -0.240   4.101  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.967  -0.421   2.083  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -0.041  -0.623   2.416  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.370  -0.403   0.789  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1       -2.650  -0.227   0.628  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -7.927   0.552  -0.142  0.00  0.00    +0.161 A 
ATOM     10  C   LIG    1       -6.697   1.062  -0.570  0.00  0.00    +0.159 A 
ATOM     11  C   LIG    1       -5.540   0.924   0.191  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -5.589   0.251   1.416  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -6.824  -0.248   1.858  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -7.985  -0.106   1.084  0.00  0.00    +0.050 A 
BRANCH   9  16
ATOM     15  C   LIG    1      -10.239   0.249  -0.598  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -8.975   0.765  -0.999  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -6.609   1.724  -1.766  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -7.516   1.704  -2.129  0.00  0.00    +0.292 HD
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   7  19
ATOM     19  N   LIG    1       -0.511  -0.605  -0.246  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1       -0.976  -0.665  -1.146  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        0.849  -0.267  -0.345  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        1.625  -0.902  -1.321  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.998  -0.641  -1.446  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        3.649   0.261  -0.599  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        2.862   0.891   0.376  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        1.490   0.633   0.505  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.013   0.557  -0.679  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1        5.759   0.307  -1.929  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        6.684  -0.923  -1.800  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        7.678  -0.843  -0.704  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1        9.021  -0.567  -1.206  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1        7.285   0.166   0.307  0.00  0.00    +0.103 C 
ATOM     33  C   LIG    1        5.761   0.221   0.561  0.00  0.00    +0.120 C 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6