REMARK  Name = BDB014037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.314  -0.373   0.658  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -1.516   0.843   0.198  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -2.045   1.642  -0.591  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.212   1.006   0.658  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.448   0.194   1.647  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.276  -1.197   1.817  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.028  -1.861   2.824  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.909  -1.189   3.663  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.057   0.177   3.523  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.590  -2.142   1.015  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        1.334   0.851   2.537  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -1.622  -1.583   0.059  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -4.740  -0.891   0.692  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -3.670  -0.235   0.129  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -3.827   0.568  -0.473  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -4.595  -1.724   1.586  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -6.130  -0.504   0.140  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -6.180  -0.419  -1.385  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -5.967   1.926   0.643  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -6.697   0.681   0.821  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -7.658   0.808   0.505  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        0.570   2.059  -0.018  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.402   1.486  -1.148  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1        2.717   1.050  -0.913  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        3.499   0.486  -1.936  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        2.927   0.369  -3.213  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        1.617   0.790  -3.460  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        0.857   1.343  -2.432  0.00  0.00    +0.005 A 
BRANCH  25  29
ATOM     29  C   LIG    1        4.871   0.020  -1.668  0.00  0.00    -0.018 A 
ATOM     30  C   LIG    1        5.138  -0.873  -0.616  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        6.438  -1.322  -0.365  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.492  -0.880  -1.158  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.250   0.009  -2.204  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        5.950   0.453  -2.456  0.00  0.00    +0.008 A 
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6