REMARK  Name = BDB064012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.958  -0.082  -0.271  0.00  0.00    +0.194 C 
ATOM      2  N   LIG    1        1.762  -0.696  -1.464  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.855  -0.907  -1.854  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.957  -0.965  -2.040  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        3.192  -1.498  -3.106  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.913  -0.434  -1.030  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        5.238  -0.485  -1.218  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        3.213   0.095   0.035  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        6.274   0.020  -0.303  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        7.441   0.568  -0.863  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        8.458   1.025  -0.005  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        8.347   0.939   1.384  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        9.429   1.428   2.100  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       10.337   1.877   1.264  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.181   0.373   1.933  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        9.973   1.745  -0.403  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.162  -0.084   1.086  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.934   0.306   0.522  0.00  0.00    -0.256 N 
ATOM     19  H   LIG    1        1.149   0.765   1.392  0.00  0.00    +0.158 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -3.175  -0.038  -0.043  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -2.234  -0.495  -0.952  0.00  0.00    +0.139 A 
ATOM     22  N   LIG    1       -0.886  -0.409  -0.815  0.00  0.00    -0.221 NA
ATOM     23  C   LIG    1       -0.425   0.175   0.302  0.00  0.00    +0.222 A 
ATOM     24  N   LIG    1       -1.227   0.658   1.257  0.00  0.00    -0.221 NA
ATOM     25  C   LIG    1       -2.563   0.536   1.059  0.00  0.00    +0.139 A 
BRANCH  20  30
ATOM     26  C   LIG    1       -8.619  -0.683   0.187  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1       -7.497  -0.311  -0.670  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1       -6.565  -1.445  -0.831  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1       -5.131  -1.028  -1.233  0.00  0.00    +0.120 C 
ATOM     30  N   LIG    1       -4.538  -0.146  -0.211  0.00  0.00    -0.325 N 
ATOM     31  C   LIG    1       -5.484   0.657   0.586  0.00  0.00    +0.120 C 
ATOM     32  C   LIG    1       -6.806   0.899  -0.183  0.00  0.00    +0.103 C 
ENDBRANCH  20  30
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4