REMARK  Name = BDB023704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.963  -1.431   1.477  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.356  -2.074   0.414  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.073  -1.519  -0.870  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1        0.286  -2.736  -1.777  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        0.608  -3.864  -0.802  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.248  -3.529   0.417  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -1.415  -2.092   2.416  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.374  -0.730  -0.727  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        1.627   0.394  -1.480  0.00  0.00    -0.320 N 
ATOM     10  H   LIG    1        1.278   0.435  -2.432  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        3.013   0.794  -1.220  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1        3.888   0.541  -2.437  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        3.057   2.237  -0.744  0.00  0.00    +0.041 C 
ATOM     14  C   LIG    1        3.368  -0.185  -0.078  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1        4.412  -0.175   0.558  0.00  0.00    -0.271 OA
ATOM     16  N   LIG    1        2.325  -1.083   0.099  0.00  0.00    -0.166 NA
ENDBRANCH   3   8
BRANCH   5  17
ATOM     17  O   LIG    1        2.000  -3.857  -0.498  0.00  0.00    -0.390 OA
ATOM     18  H   LIG    1        2.189  -3.079   0.071  0.00  0.00    +0.210 HD
ENDBRANCH   5  17
BRANCH   1  19
ATOM     19  C   LIG    1       -0.990   0.112   1.501  0.00  0.00    +0.146 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -3.427   2.661  -2.204  0.00  0.00    +0.069 C 
ATOM     21  C   LIG    1       -2.962   1.706  -1.175  0.00  0.00    +0.081 A 
ATOM     22  N   LIG    1       -3.657   0.592  -0.923  0.00  0.00    -0.083 NA
ATOM     23  O   LIG    1       -2.979  -0.055   0.093  0.00  0.00    -0.359 OA
ATOM     24  C   LIG    1       -1.873   0.662   0.431  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -1.820   1.794  -0.349  0.00  0.00    +0.071 A 
ENDBRANCH  19  24
BRANCH  19  26
ATOM     26  C   LIG    1       -1.346   0.666   2.911  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -2.835   0.578   3.272  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1       -0.865   2.113   3.083  0.00  0.00    +0.008 C 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5