REMARK  Name = BDB023733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.990   0.880   1.685  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.110   1.755   1.078  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.443   1.611  -0.218  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -0.022   3.033  -0.579  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.246   3.676   0.780  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.818   3.046   1.680  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -2.460   1.150   2.793  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.772   0.700  -0.090  0.00  0.00    +0.136 C 
ATOM      9  N   LIG    1        1.196   0.165   1.103  0.00  0.00    -0.308 N 
ATOM     10  H   LIG    1        1.059   0.698   1.951  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        2.479  -0.484   0.860  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1        2.369  -1.918   1.370  0.00  0.00    +0.055 C 
ATOM     13  C   LIG    1        3.572   0.331   1.548  0.00  0.00    +0.055 C 
ATOM     14  N   LIG    1        2.546  -0.399  -0.615  0.00  0.00    -0.200 N 
ATOM     15  N   LIG    1        1.502   0.370  -1.123  0.00  0.00    -0.165 NA
BRANCH  14  16
ATOM     16  C   LIG    1        3.546  -0.838  -1.480  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        4.694  -1.525  -1.060  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        5.677  -1.955  -1.964  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.536  -1.708  -3.324  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.412  -1.032  -3.777  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.437  -0.608  -2.866  0.00  0.00    +0.025 A 
ENDBRANCH  14  16
ENDBRANCH   3   8
BRANCH   5  22
ATOM     22  O   LIG    1        0.154   5.088   0.713  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -0.737   5.326   0.402  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1       -2.353  -0.424   0.945  0.00  0.00    +0.146 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -5.559   0.290  -2.982  0.00  0.00    +0.069 C 
ATOM     26  C   LIG    1       -4.861   0.236  -1.679  0.00  0.00    +0.081 A 
ATOM     27  N   LIG    1       -5.433   0.757  -0.587  0.00  0.00    -0.083 NA
ATOM     28  O   LIG    1       -4.543   0.537   0.448  0.00  0.00    -0.359 OA
ATOM     29  C   LIG    1       -3.438  -0.099  -0.031  0.00  0.00    +0.150 A 
ATOM     30  C   LIG    1       -3.597  -0.317  -1.380  0.00  0.00    +0.071 A 
ENDBRANCH  24  29
BRANCH  24  31
ATOM     31  C   LIG    1       -2.774  -1.548   1.933  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -1.601  -1.939   2.844  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -3.261  -2.811   1.208  0.00  0.00    +0.008 C 
ENDBRANCH  24  31
ENDBRANCH   1  24
TORSDOF 6