REMARK  Name = BDB062346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.949  -1.027   1.748  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.009  -0.645   0.869  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.244  -0.730   1.313  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.413  -0.387   0.618  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.516  -0.554   1.483  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.999  -1.077   2.687  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.751  -1.373   3.872  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.684  -0.293   1.247  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.613  -1.158   2.565  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.613  -1.535   3.399  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.678  -1.479   3.001  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.404   0.230  -0.699  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -3.473  -0.352  -1.639  0.00  0.00    +0.053 C 
ATOM     14  C   LIG    1       -4.559   0.669  -1.942  0.00  0.00    +0.162 C 
ATOM     15  O   LIG    1       -4.021   1.843  -2.550  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -2.826   2.348  -1.956  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.514   1.755  -0.592  0.00  0.00    +0.053 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        2.303  -1.001   1.422  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        2.828  -1.333   2.218  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        5.145  -1.587   1.255  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.410  -0.773   0.223  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        3.033  -0.491   0.338  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        2.437   0.252  -0.693  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        3.147   0.735  -1.788  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1        4.528   0.461  -1.883  0.00  0.00    +0.090 A 
ATOM     26  N   LIG    1        5.266   0.905  -2.921  0.00  0.00    -0.252 NA
ATOM     27  C   LIG    1        4.611   1.621  -3.860  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        3.262   1.890  -3.769  0.00  0.00    +0.131 A 
ATOM     29  N   LIG    1        2.510   1.455  -2.736  0.00  0.00    -0.252 NA
ATOM     30  C   LIG    1        5.131  -0.284  -0.882  0.00  0.00    +0.035 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3