REMARK  Name = BDB031318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.972  -1.534   0.340  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.812  -2.198  -0.082  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.619  -1.471  -0.202  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.386  -1.914  -0.584  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -0.403  -0.859  -0.533  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.277   0.274  -0.110  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1        1.600  -0.109   0.091  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.743   0.562   0.559  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        3.929  -0.175   0.672  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.254   1.579   0.057  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -1.480   1.744   0.717  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.946   3.031   0.837  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.248   4.128   0.339  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -1.985   5.271   0.626  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -1.751   6.225   0.404  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -3.148   4.896   1.315  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -4.021   5.638   1.726  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -0.040   3.999  -0.303  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -3.108   3.499   1.438  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -3.819   2.958   1.903  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        0.464   2.699  -0.441  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  25
ATOM     22  C   LIG    1        7.663  -2.339   0.230  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        6.405  -1.637   0.258  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        6.363  -0.732  -0.191  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        5.226  -2.327   0.461  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.177  -3.528   0.696  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1       -1.890  -0.946  -1.098  0.00  0.00    +0.054 C 
ATOM     28  C   LIG    1       -2.005  -1.524  -2.507  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -2.248  -0.067  -2.284  0.00  0.00    +0.020 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -2.938  -1.417  -0.096  0.00  0.00    -0.034 A 
ATOM     31  C   LIG    1       -2.798  -2.655   0.558  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.742  -3.112   1.482  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.861  -2.338   1.772  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.034  -1.112   1.138  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.084  -0.661   0.216  0.00  0.00    +0.004 A 
ENDBRANCH  27  30
ENDBRANCH   5  27
TORSDOF 4