REMARK  Name = BDB023913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.605  -4.287   1.126  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.309  -3.568   1.397  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.259  -2.211   1.105  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.002  -1.524   1.454  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.926  -0.200   0.782  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.858   0.709   0.668  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1       -1.189   1.775  -0.066  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.481   1.570  -0.418  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -2.963   0.390   0.080  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.291  -0.252  -0.099  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.463  -1.369   0.953  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.345  -4.185   1.852  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.477   0.522   1.236  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.676   0.528   0.461  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.731   0.294   1.343  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        4.068   0.220   0.925  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        4.352   0.389  -0.441  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        3.307   0.629  -1.340  0.00  0.00    +0.009 A 
ATOM     19  N   LIG    1        2.188   0.174   2.601  0.00  0.00    -0.358 N 
ATOM     20  H   LIG    1        2.730   0.015   3.439  0.00  0.00    +0.166 HD
ATOM     21  C   LIG    1        1.975   0.697  -0.906  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        0.822   0.323   2.562  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        0.013   0.278   3.805  0.00  0.00    +0.064 C 
BRANCH  17  24
ATOM     24  C   LIG    1        5.721   0.330  -0.925  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.722  -0.460  -0.395  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        7.834  -0.230  -1.153  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        9.134  -0.833  -0.991  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.635   0.656  -2.144  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.349   0.992  -2.006  0.00  0.00    +0.142 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.072   2.582  -1.278  0.00  0.00    +0.135 C 
ATOM     31  C   LIG    1       -4.543   2.876  -1.067  0.00  0.00    +0.186 C 
ATOM     32  O   LIG    1       -5.279   2.086  -2.016  0.00  0.00    -0.378 OA
ATOM     33  C   LIG    1       -4.375   1.631  -3.033  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -3.012   2.223  -2.748  0.00  0.00    +0.057 C 
ENDBRANCH   8  30
TORSDOF 3