REMARK  Name = BDB051602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.039  -0.644   0.332  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        1.991   0.330   0.232  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1        3.182  -0.302   0.236  0.00  0.00    +0.108 A 
ATOM      4  C   LIG    1        2.945  -1.718   0.343  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        3.887  -2.738   0.382  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        5.191  -2.214   0.301  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        5.485  -0.820   0.194  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1        6.787  -0.497   0.128  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        4.503   0.196   0.157  0.00  0.00    +0.099 A 
ATOM     10  C   LIG    1        1.594  -1.903   0.401  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.070   0.427   0.395  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -2.686  -0.919   0.477  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.336  -1.284   0.458  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -0.344  -0.301   0.355  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1       -0.724   1.048   0.270  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.075   1.406   0.289  0.00  0.00    +0.007 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -4.532   0.807   0.415  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -6.610   0.728  -0.794  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -5.212   0.323  -0.786  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1       -4.741   0.707  -1.604  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1        4.839   1.624   0.046  0.00  0.00    +0.246 C 
ATOM     22  O   LIG    1        5.993   2.025  -0.021  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        3.799   2.510   0.019  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        2.833   2.196   0.073  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        4.002   3.496  -0.057  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4