REMARK  Name = BDB022912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.958   0.225  -0.660  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.782   0.762  -1.025  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.735   0.645  -0.176  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        0.424   1.263  -0.617  0.00  0.00    +0.163 C 
ATOM      5  N   LIG    1       -0.709   0.999   0.282  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1       -0.399   0.943   1.722  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1        0.684  -0.119   1.982  0.00  0.00    +0.060 C 
ATOM      8  C   LIG    1        0.007   2.322   2.262  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1       -1.977   1.044  -0.286  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1       -2.132   1.394  -1.459  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        1.848   0.020   1.051  0.00  0.00    -0.005 A 
ATOM     12  C   LIG    1        3.086  -0.509   1.331  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1        4.142  -0.413   0.504  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1       -3.186   0.672   0.575  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.295   0.000  -0.284  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -5.713   0.272   0.287  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.688   0.423   1.748  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -7.037   0.443   2.308  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.927   1.607   2.163  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.742   1.929   1.246  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.979  -1.483  -0.467  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.274  -2.435   0.520  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.946  -3.779   0.334  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.311  -4.189  -0.836  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.001  -3.254  -1.821  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.330  -1.910  -1.637  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   9  14
BRANCH   1  27
ATOM     27  N   LIG    1        4.984   0.383  -1.587  0.00  0.00    -0.284 N 
ATOM     28  H   LIG    1        4.619   0.876  -2.389  0.00  0.00    +0.155 HD
BRANCH  27  34
ATOM     29  C   LIG    1        9.250   0.308  -4.028  0.00  0.00    +0.065 C 
ATOM     30  C   LIG    1        8.428  -0.055  -2.828  0.00  0.00    +0.040 A 
ATOM     31  N   LIG    1        9.040  -0.751  -1.846  0.00  0.00    -0.260 NA
ATOM     32  C   LIG    1        8.293  -1.072  -0.770  0.00  0.00    +0.113 A 
ATOM     33  C   LIG    1        6.957  -0.732  -0.622  0.00  0.00    +0.043 A 
ATOM     34  C   LIG    1        6.323  -0.017  -1.634  0.00  0.00    +0.037 A 
ATOM     35  C   LIG    1        7.089   0.324  -2.756  0.00  0.00    +0.046 A 
ENDBRANCH  27  34
ENDBRANCH   1  27
TORSDOF 4