REMARK  Name = BDB031213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.144   0.855   0.159  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -2.955  -0.441  -0.338  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -1.645  -0.912  -0.520  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -1.241  -2.121  -1.008  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.077  -2.096  -0.994  0.00  0.00    +0.112 A 
ATOM      6  N   LIG    1        0.560  -0.878  -0.518  0.00  0.00    -0.296 N 
ATOM      7  C   LIG    1        0.914  -3.280  -1.331  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -0.556  -0.106  -0.203  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.729   1.214   0.248  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -2.040   1.672   0.429  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.923  -0.492  -0.361  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        2.312   0.222   0.785  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        3.641   0.563   0.881  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        4.570   0.229  -0.102  0.00  0.00    +0.067 A 
ATOM     15  N   LIG    1        5.810   0.713   0.298  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        6.686   0.637  -0.192  0.00  0.00    +0.170 HD
ATOM     17  C   LIG    1        5.666   1.351   1.538  0.00  0.00    +0.325 A 
ATOM     18  O   LIG    1        6.545   1.889   2.187  0.00  0.00    -0.247 OA
ATOM     19  C   LIG    1        4.221  -0.464  -1.235  0.00  0.00    +0.030 A 
ATOM     20  N   LIG    1        4.311   1.248   1.888  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1        3.926   1.623   2.739  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1        2.873  -0.828  -1.362  0.00  0.00    +0.028 A 
ENDBRANCH   6  11
BRANCH   1  26
ATOM     23  C   LIG    1       -6.845   0.962   0.948  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1       -5.518   0.509   0.617  0.00  0.00    -0.314 N 
ATOM     25  H   LIG    1       -5.275  -0.443   0.854  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -4.507   1.417   0.376  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1       -4.678   2.631   0.368  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 2