REMARK  Name = BDB028323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.513   0.439   0.177  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        2.524  -0.123  -0.625  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.599   0.652  -1.084  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        3.675   1.995  -0.732  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.819   2.797  -1.194  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        5.756   2.135  -1.948  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        6.554   2.671  -2.272  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        5.706   0.828  -2.324  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.921   3.986  -0.914  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.682   2.576   0.062  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        4.690   0.112  -1.935  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        1.609   1.801   0.510  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -2.010  -0.739   0.975  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -0.943   0.031   0.487  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.389  -0.376   0.660  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.583  -1.589   1.320  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1       -0.410  -2.379   1.791  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1       -1.673  -1.932   1.614  0.00  0.00    +0.119 A 
BRANCH  13  22
ATOM     19  C   LIG    1       -6.546  -1.681  -0.910  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -5.633  -0.781  -0.129  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1       -4.288  -1.129   0.062  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -3.412  -0.320   0.814  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.928   0.862   1.388  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -5.278   1.203   1.209  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -6.124   0.385   0.462  0.00  0.00    +0.004 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.108   1.741   2.174  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1       -2.447   2.468   2.793  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH  13  22
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1        4.654  -1.345  -2.387  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.045  -2.206  -1.268  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        5.128  -3.165  -1.606  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        5.989  -1.941  -0.978  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5