REMARK  Name = BDB004139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.187  -0.641  -0.120  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -3.385   0.051   0.121  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -4.595  -0.304  -0.505  0.00  0.00    -0.034 A 
ATOM      4  C   LIG    1       -4.599  -1.401  -1.373  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -3.430  -2.126  -1.594  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.241  -1.757  -0.960  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -5.867   0.479  -0.199  0.00  0.00    +0.105 C 
ATOM      8  C   LIG    1       -6.470   1.166  -1.430  0.00  0.00    +0.227 C 
ATOM      9  O   LIG    1       -6.170   0.926  -2.595  0.00  0.00    -0.275 OA
ATOM     10  N   LIG    1       -7.343   2.188  -1.143  0.00  0.00    -0.256 N 
ATOM     11  H   LIG    1       -7.374   2.827  -1.932  0.00  0.00    +0.157 HD
ATOM     12  C   LIG    1       -8.660   1.930  -0.887  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -9.519   2.621  -1.437  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -9.051   0.741  -0.040  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1       -8.080   0.373   1.070  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -6.874  -0.403   0.546  0.00  0.00    +0.018 C 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  N   LIG    1       -1.045  -0.260   0.597  0.00  0.00    -0.344 N 
ATOM     18  H   LIG    1       -1.062   0.735   0.809  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.268  -0.720   0.153  0.00  0.00    +0.101 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.348  -0.088   1.034  0.00  0.00    +0.019 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.757  -0.615   0.748  0.00  0.00    +0.002 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.261  -0.269  -0.658  0.00  0.00    +0.011 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.714  -0.694  -0.875  0.00  0.00    +0.120 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.705   0.183  -0.142  0.00  0.00    +0.308 C 
ATOM     25  O   LIG    1        5.448   1.271   0.350  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.923  -0.425  -0.145  0.00  0.00    -0.459 OA
BRANCH  26  28
ATOM     27  C   LIG    1        9.223  -0.787   0.274  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        8.068   0.203   0.487  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        8.425   1.527  -0.198  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        7.846   0.379   1.993  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 10