REMARK  Name = BDB014541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.513   2.071   0.868  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.490   1.367  -0.321  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.359   0.902  -0.568  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.499   2.432   1.461  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.920   2.415   1.365  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.940   1.547   0.886  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1        4.287  -0.368   1.094  0.00  0.00    -0.000 A 
ATOM      8  C   LIG    1        3.140   0.347   1.525  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        2.287  -0.175   2.507  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.557  -1.411   3.092  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.675  -2.132   2.699  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.521  -1.615   1.718  0.00  0.00    +0.007 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.174  -0.776  -1.343  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        7.039  -0.926  -0.439  0.00  0.00    -0.304 NA
ATOM     15  C   LIG    1        6.792   0.331   0.302  0.00  0.00    +0.093 C 
ATOM     16  C   LIG    1        5.284   0.199  -0.035  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1        5.763  -0.748  -1.167  0.00  0.00    +0.093 C 
ENDBRANCH   7  16
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.750   0.791  -0.831  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.680   1.855  -1.438  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.971   2.547  -2.482  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.133   2.832  -2.073  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.954   1.235  -2.048  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.745   0.389  -1.136  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.805  -0.305  -1.897  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.764  -1.093  -1.030  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.904  -0.802   0.338  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.822  -1.523   1.114  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.615  -2.510   0.530  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.494  -2.787  -0.830  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.021   0.237   0.979  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.576  -2.081  -1.607  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.359   1.168  -0.047  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9