REMARK  Name = BDB048515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.027  -1.223  -0.519  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.346   0.063  -0.053  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.633   0.298   0.441  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        2.587  -0.731   0.496  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        2.209  -2.002   0.036  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.924  -2.244  -0.464  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.151  -3.716  -1.576  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -2.785  -4.029  -1.163  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -2.443  -3.398   0.130  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.276  -1.863   0.088  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.349  -1.413  -0.978  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.525  -2.092  -2.280  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -1.799  -3.612  -2.180  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1        3.942  -0.484   1.022  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        4.131   0.164   2.257  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        5.413   0.403   2.764  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        6.530  -0.008   2.030  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1        6.371  -0.651   0.798  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        5.083  -0.884   0.303  0.00  0.00    +0.011 A 
BRANCH  17  20
ATOM     20  N   LIG    1        7.879   0.237   2.555  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        8.841  -0.133   1.868  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        7.977   0.797   3.657  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   4  14
BRANCH   2  23
ATOM     23  N   LIG    1       -0.646   1.063  -0.161  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1       -1.493   0.701  -0.590  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -0.608   2.359   0.298  0.00  0.00    +0.248 C 
ATOM     26  O   LIG    1        0.278   2.876   0.968  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -1.807   3.179  -0.035  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -2.213   4.165   0.875  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1       -3.329   4.955   0.578  0.00  0.00    +0.127 A 
ATOM     30  C   LIG    1       -4.035   4.777  -0.620  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1       -3.616   3.804  -1.529  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -2.503   3.009  -1.241  0.00  0.00    +0.013 A 
BRANCH  29  33
ATOM     33  N   LIG    1       -3.769   5.981   1.532  0.00  0.00    +0.056 N 
ATOM     34  O   LIG    1       -4.679   6.743   1.176  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1       -3.212   6.018   2.637  0.00  0.00    -0.126 OA
ENDBRANCH  29  33
ENDBRANCH  25  27
ENDBRANCH   2  23
TORSDOF 6