REMARK  Name = BDB045596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.141  -0.063  -0.268  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -0.852  -0.009  -1.451  0.00  0.00    -0.327 N 
ATOM      3  C   LIG    1       -0.300   0.108  -2.780  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -2.198  -0.019  -1.153  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -2.244   0.013   0.240  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -3.500   0.037   0.875  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -4.669   0.015   0.093  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.589  -0.024  -1.299  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.352  -0.037  -1.951  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.971  -0.018   0.756  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.120  -0.162   0.181  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.491  -1.024  -0.721  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.101  -1.007  -0.877  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.318  -0.112  -0.140  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        1.952   0.734   0.779  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        3.343   0.716   0.935  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.161   0.541   1.171  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.481  -0.283   0.232  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  C   LIG    1       -3.595   0.103   2.344  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -2.974   0.913   3.017  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -4.453  -0.794   2.925  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -4.401  -0.848   3.934  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -4.749  -1.622   2.427  0.00  0.00    +0.145 HD
ENDBRANCH   6  19
TORSDOF 3