REMARK  Name = BDB017699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.062  -0.556  -1.893  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.272  -0.175  -1.280  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -2.384  -1.019  -1.402  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.615  -0.648  -0.853  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.773   0.562  -0.163  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -5.102   0.886   0.410  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.256   2.039   1.178  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.408   2.307   1.669  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -6.463   2.250   1.971  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.679   1.800   1.171  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -7.520   0.347   0.712  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.139   0.053   0.188  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -5.965  -1.218  -0.565  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.901  -1.990  -0.757  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -2.663   1.415  -0.072  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.710  -1.500  -1.020  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -4.609  -2.368  -1.527  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.428   1.051  -0.622  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        3.101  -1.033  -0.908  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1        2.937  -1.585  -2.272  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        1.595  -2.357  -2.417  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        0.493  -1.920  -1.532  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        0.954  -1.985  -0.119  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        2.486  -1.894   0.117  0.00  0.00    +0.122 C 
BRANCH  19  31
ATOM     25  C   LIG    1        7.056  -0.005   0.075  0.00  0.00    +0.073 A 
ATOM     26  C   LIG    1        5.997   0.691   0.623  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1        6.021   1.888   1.524  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1        4.575   1.912   2.033  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1        3.711   1.297   0.925  0.00  0.00    +0.039 C 
ATOM     30  C   LIG    1        4.679   0.342   0.294  0.00  0.00    -0.003 A 
ATOM     31  C   LIG    1        4.422  -0.702  -0.584  0.00  0.00    +0.125 A 
ATOM     32  N   LIG    1        5.452  -1.393  -1.121  0.00  0.00    -0.239 NA
ATOM     33  C   LIG    1        6.726  -1.040  -0.786  0.00  0.00    +0.132 A 
BRANCH  25  35
ATOM     34  N   LIG    1        9.528   0.566   0.579  0.00  0.00    -0.191 NA
ATOM     35  C   LIG    1        8.419   0.310   0.352  0.00  0.00    +0.101 C 
ENDBRANCH  25  35
ENDBRANCH  19  31
ENDBRANCH   1  22
TORSDOF 4