REMARK  Name = BDB003613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.779   0.627  -0.781  0.00  0.00    +0.176 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.186   0.670  -1.282  0.00  0.00    -0.283 NA
ATOM      3  C   LIG    1       -2.692  -0.663  -1.665  0.00  0.00    +0.121 C 
ATOM      4  C   LIG    1       -3.050  -1.548  -0.488  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -3.444  -0.983   0.738  0.00  0.00    -0.042 A 
ATOM      6  C   LIG    1       -3.807  -1.818   1.802  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -3.795  -3.204   1.646  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.419  -3.765   0.428  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.422   0.513   0.928  0.00  0.00    +0.051 C 
ATOM     10  C   LIG    1       -3.052  -2.942  -0.637  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -3.164   1.289  -0.373  0.00  0.00    +0.090 C 
ENDBRANCH   1   2
BRANCH   1  15
ATOM     12  C   LIG    1        0.600   4.348   0.886  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        0.374   4.169  -0.466  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -0.059   3.010  -1.006  0.00  0.00    -0.258 NA
ATOM     15  C   LIG    1       -0.293   1.963  -0.174  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1       -0.089   2.070   1.206  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        0.363   3.276   1.736  0.00  0.00    +0.003 A 
ENDBRANCH   1  15
BRANCH   1  18
ATOM     18  C   LIG    1        0.198   0.181  -1.855  0.00  0.00    +0.175 A 
ATOM     19  N   LIG    1        1.480  -0.255  -1.621  0.00  0.00    -0.224 N 
ATOM     20  N   LIG    1        2.066  -0.598  -2.784  0.00  0.00    -0.044 NA
ATOM     21  N   LIG    1        1.158  -0.365  -3.716  0.00  0.00    -0.023 NA
ATOM     22  N   LIG    1        0.001   0.114  -3.163  0.00  0.00    -0.111 NA
BRANCH  19  23
ATOM     23  C   LIG    1        2.215  -0.386  -0.376  0.00  0.00    +0.111 C 
ATOM     24  C   LIG    1        3.323   0.671  -0.264  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1        4.076   0.549   1.060  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        4.625  -0.859   1.268  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1        3.531  -1.917   1.150  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        2.778  -1.802  -0.174  0.00  0.00    +0.027 C 
ENDBRANCH  19  23
ENDBRANCH   1  18
TORSDOF 4