REMARK  Name = BDB003250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.175   0.255   1.749  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        3.390   0.277   0.228  0.00  0.00    +0.068 C 
ATOM      3  O   LIG    1        2.963   1.515  -0.352  0.00  0.00    -0.367 OA
ATOM      4  C   LIG    1        1.581   1.783  -0.215  0.00  0.00    +0.218 C 
ATOM      5  C   LIG    1        0.596   0.613  -0.336  0.00  0.00    +0.092 A 
ATOM      6  N   LIG    1       -0.663   0.904  -0.278  0.00  0.00    -0.167 NA
ATOM      7  N   LIG    1       -1.569  -0.134  -0.332  0.00  0.00    -0.214 N 
ATOM      8  C   LIG    1       -1.184  -1.475  -0.530  0.00  0.00    +0.165 A 
ATOM      9  C   LIG    1        0.295  -1.780  -0.550  0.00  0.00    +0.100 A 
ATOM     10  N   LIG    1       -2.039  -2.443  -0.720  0.00  0.00    -0.281 NA
ATOM     11  H   LIG    1       -1.618  -3.362  -0.871  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1        1.162  -0.757  -0.464  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.665  -0.871  -0.499  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1        4.896   0.179  -0.051  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   7  15
ATOM     15  C   LIG    1       -2.931   0.297  -0.164  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1       -3.933  -0.530   0.370  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -5.247  -0.077   0.538  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.591   1.223   0.183  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.621   2.072  -0.336  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -3.309   1.614  -0.502  0.00  0.00    +0.028 A 
ENDBRANCH   7  15
BRANCH   9  21
ATOM     21  C   LIG    1        0.742  -3.122  -0.684  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        1.113  -4.215  -0.791  0.00  0.00    -0.191 NA
ENDBRANCH   9  21
TORSDOF 2