REMARK  Name = BDB012878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.622   0.629   1.321  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.669   0.344   0.359  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.734   0.645   0.614  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.460   0.268  -0.684  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.585  -0.855  -1.236  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.823  -0.391  -0.885  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.279   1.054   2.424  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.117   0.084   0.342  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.195   0.144   1.675  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.931   0.375   2.062  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.732   0.499   3.050  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.019   0.406   1.038  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.782   0.251  -0.103  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.006  -1.476  -0.211  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        6.343  -0.128  -0.501  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        7.348   1.014  -0.340  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.837  -0.140  -0.493  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -3.037  -1.109  -0.280  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -3.824   0.797  -0.240  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -3.580   2.004  -0.272  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.229   0.172   0.112  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.689  -1.058  -0.740  0.00  0.00    +0.016 C 
ATOM     23  C   LIG    1       -7.095  -0.438  -0.812  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -6.452   0.926  -0.510  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1       -5.365  -0.037   1.624  0.00  0.00    +0.021 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4