REMARK  Name = BDB056729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.377  -0.285   1.033  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -1.220  -0.673   0.443  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.261   0.270   0.527  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -0.346   1.517   1.133  0.00  0.00    +0.109 A 
ATOM      5  N   LIG    1        0.834   2.202   1.010  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1        1.651   1.390   0.356  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1       -1.555   1.867   1.744  0.00  0.00    +0.037 A 
ATOM      8  N   LIG    1        1.014   0.208   0.035  0.00  0.00    -0.313 N 
ATOM      9  C   LIG    1        1.570  -0.915  -0.678  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1       -2.588   0.928   1.693  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.388  -1.229   1.015  0.00  0.00    -0.438 OA
BRANCH  11  15
ATOM     12  C   LIG    1       -5.652   0.687  -2.954  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -5.684   0.045  -1.599  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1       -4.490  -0.272  -0.939  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -4.524  -0.886   0.316  0.00  0.00    +0.131 A 
ATOM     16  C   LIG    1       -5.745  -1.236   0.895  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -6.946  -0.954   0.235  0.00  0.00    -0.047 A 
ATOM     18  C   LIG    1       -8.260  -1.297   0.870  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.906  -0.302  -1.006  0.00  0.00    +0.007 A 
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        3.064   1.707  -0.018  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.884   0.645   0.470  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.217   0.702   0.173  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.941  -0.435   0.536  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        7.316  -0.500   0.297  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.975   0.563  -0.329  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        7.253   1.700  -0.688  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.879   1.773  -0.433  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        8.043  -1.727   0.686  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        7.607  -2.848   0.496  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        9.216  -1.467   1.300  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        9.350  -0.530   1.537  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7