REMARK  Name = BDB004615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.184  -0.701  -0.737  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.144   0.088  -0.203  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.883  -0.520  -0.036  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.852   0.293   0.486  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.066   1.562   0.860  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.291   2.046   0.665  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.702  -1.885  -0.378  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.740  -2.645  -0.898  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.329   1.380   0.148  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.978  -2.052  -1.081  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.830   1.127  -0.706  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        5.112   1.732  -0.317  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        6.767   1.478  -0.840  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.569  -0.183  -0.975  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.461  -0.908  -1.405  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.434  -0.260   0.671  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.712  -0.702  -0.204  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.504   0.637   1.148  0.00  0.00    +0.123 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.214   1.289  -0.033  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.099   2.678  -0.221  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.724   3.313  -1.296  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.471   2.570  -2.205  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.587   1.193  -2.043  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.959   0.555  -0.970  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -2.434  -0.082   2.151  0.00  0.00    +0.172 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.951  -1.366   1.741  0.00  0.00    -0.250 N 
ATOM     27  N   LIG    1       -4.225  -1.493   1.329  0.00  0.00    -0.066 NA
ATOM     28  N   LIG    1       -4.435  -2.777   1.068  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1       -3.292  -3.462   1.367  0.00  0.00    +0.156 A 
ATOM     30  C   LIG    1       -2.336  -2.582   1.810  0.00  0.00    +0.130 A 
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6