REMARK  Name = BDB004664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.570  -0.509  -0.060  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -1.641   0.313   0.350  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -2.918  -0.281   0.386  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -4.005   0.531   0.774  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -3.821   1.882   1.129  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.559   2.451   1.111  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -3.073  -1.584   0.061  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -1.982  -2.280  -0.275  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -1.477   1.671   0.726  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.740  -1.808  -0.348  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -5.416   0.035   0.845  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -6.337   0.765   1.198  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -5.669  -1.260   0.505  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -6.614  -1.609   0.571  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -4.914  -1.885   0.237  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.727   0.025  -0.128  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        0.735   0.893  -0.651  0.00  0.00    +0.148 HD
BRANCH  16  19
ATOM     18  C   LIG    1        1.822  -1.070  -2.053  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1        1.825  -0.855  -0.534  0.00  0.00    +0.099 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.111  -0.224  -0.006  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        3.469  -0.452   1.336  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.624   0.113   1.880  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.437   0.925   1.094  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.091   1.177  -0.231  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.934   0.613  -0.776  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 4