REMARK  Name = BDB064009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.290  -0.463  -0.903  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -0.392  -1.509  -1.760  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.237  -1.889  -2.146  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.847  -1.874  -2.171  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.158  -2.743  -2.960  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.719  -0.928  -1.425  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.054  -0.977  -1.514  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.934  -0.075  -0.680  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.013  -0.106  -0.818  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.239  -0.661  -0.414  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.183   0.164   0.224  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.944   1.520   0.456  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.966   2.205   1.093  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.957   1.380   1.338  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.719   2.069   0.031  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.745  -0.241   0.833  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.772   1.254  -0.604  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.370   0.158  -0.367  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1       -1.171   1.046   0.089  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -3.701   0.614   0.151  0.00  0.00    +0.237 A 
ATOM     21  C   LIG    1       -2.669  -0.307  -0.101  0.00  0.00    +0.096 A 
ATOM     22  C   LIG    1       -3.041  -1.650  -0.122  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -4.370  -2.017   0.102  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -5.315  -1.025   0.340  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1       -6.748  -1.392   0.587  0.00  0.00    +0.066 C 
ATOM     26  N   LIG    1       -4.996   0.287   0.369  0.00  0.00    -0.217 NA
BRANCH  20  28
ATOM     27  C   LIG    1       -4.422   2.830   0.419  0.00  0.00    +0.279 C 
ATOM     28  O   LIG    1       -3.327   1.951   0.184  0.00  0.00    -0.478 OA
ENDBRANCH  20  28
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4