REMARK  Name = BDB065374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.771   1.111  -1.383  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -2.576  -0.198  -1.843  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.287  -0.732  -1.940  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.165   0.029  -1.588  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.363   1.339  -1.130  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.652   1.875  -1.029  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.161  -0.553  -1.700  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1        1.394  -1.893  -1.893  0.00  0.00    -0.130 NA
ATOM      9  N   LIG    1        2.705  -2.086  -1.949  0.00  0.00    -0.065 NA
ATOM     10  N   LIG    1        3.291  -0.887  -1.795  0.00  0.00    -0.251 N 
ATOM     11  C   LIG    1        2.370   0.106  -1.646  0.00  0.00    +0.138 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.731  -0.769  -1.825  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.348  -0.369  -0.483  0.00  0.00    +0.024 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.099  -1.405   0.621  0.00  0.00    +0.013 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.800  -1.050   1.933  0.00  0.00    +0.120 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.144   0.092   2.664  0.00  0.00    +0.305 C 
ATOM     17  O   LIG    1        4.213   0.782   2.288  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.724   0.317   3.860  0.00  0.00    -0.481 OA
ATOM     19  H   LIG    1        5.215   1.064   4.238  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -4.168   1.682  -1.267  0.00  0.00    +0.161 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -6.410  -0.208   1.666  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -6.672  -0.477   0.426  0.00  0.00    -0.178 NA
ATOM     23  C   LIG    1       -5.949   0.127  -0.575  0.00  0.00    +0.350 A 
ATOM     24  O   LIG    1       -6.176  -0.137  -1.754  0.00  0.00    -0.244 OA
ATOM     25  N   LIG    1       -4.952   1.039  -0.214  0.00  0.00    -0.295 N 
ATOM     26  C   LIG    1       -4.678   1.320   1.105  0.00  0.00    +0.094 A 
ATOM     27  C   LIG    1       -5.358   0.736   2.088  0.00  0.00    +0.061 A 
BRANCH  21  28
ATOM     28  N   LIG    1       -7.160  -0.854   2.611  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -7.684  -1.623   2.204  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -6.681  -1.118   3.463  0.00  0.00    +0.144 HD
ENDBRANCH  21  28
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 10