REMARK  Name = BDB000945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.625  -0.040   0.413  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1        1.826  -0.675   0.603  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1        1.976  -1.612   0.959  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.833   0.189   0.247  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.171   1.343  -0.143  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.918   2.452  -0.562  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.316   2.361  -0.565  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.960   1.183  -0.167  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.228   0.054   0.241  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.811   1.185  -0.041  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1       -2.933  -0.640   0.048  0.00  0.00    -0.299 NA
ATOM     12  C   LIG    1       -1.588  -0.773  -0.523  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -0.680  -0.702   0.710  0.00  0.00    +0.070 C 
ATOM     14  C   LIG    1       -1.504   0.060   1.754  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -2.800   0.426   1.042  0.00  0.00    +0.085 C 
BRANCH  11  17
ATOM     16  C   LIG    1       -5.361  -0.723  -0.290  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -3.998  -0.476  -0.949  0.00  0.00    +0.050 C 
ATOM     18  C   LIG    1       -4.024   0.859  -1.703  0.00  0.00    +0.024 C 
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   9  19
ATOM     19  C   LIG    1        4.835  -1.231   0.669  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        4.156  -2.108   1.192  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        6.165  -1.427   0.432  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1        6.525  -2.351   0.639  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1        6.707  -0.851  -0.195  0.00  0.00    +0.145 HD
ENDBRANCH   9  19
TORSDOF 3