REMARK  Name = BDB023735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.595  -1.681   0.442  0.00  0.00    +0.144 C 
ATOM      2  N   LIG    1       -0.657  -1.154  -0.136  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.476  -0.320   0.593  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -1.149  -0.015   1.751  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.882  -1.737  -1.457  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1       -0.131  -3.063  -1.398  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1        1.096  -2.728  -0.567  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1  14
ATOM      8  N   LIG    1        3.613   0.263   1.055  0.00  0.00    -0.232 N 
ATOM      9  C   LIG    1        2.616   1.327   1.300  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        2.443   1.750   2.767  0.00  0.00    +0.054 C 
ATOM     11  C   LIG    1        2.893   2.543   0.409  0.00  0.00    +0.054 C 
ATOM     12  N   LIG    1        1.359   0.735   0.849  0.00  0.00    -0.308 N 
ATOM     13  H   LIG    1        0.544   0.866   1.448  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        1.668  -0.606   0.662  0.00  0.00    +0.135 C 
ATOM     15  N   LIG    1        2.942  -0.918   0.785  0.00  0.00    -0.170 NA
BRANCH   8  17
ATOM     16  C   LIG    1        5.773   1.307   1.756  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1        4.786   0.160   1.918  0.00  0.00    +0.125 C 
ENDBRANCH   8  17
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  O   LIG    1       -0.911  -4.061  -0.738  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1       -1.215  -3.692   0.109  0.00  0.00    +0.210 HD
ENDBRANCH   6  18
BRANCH   3  20
ATOM     20  C   LIG    1       -2.781   0.271   0.036  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.646   0.722  -1.382  0.00  0.00    +0.150 A 
ATOM     22  O   LIG    1       -3.462   0.160  -2.313  0.00  0.00    -0.359 OA
ATOM     23  N   LIG    1       -3.184   0.692  -3.557  0.00  0.00    -0.083 NA
ATOM     24  C   LIG    1       -2.216   1.595  -3.360  0.00  0.00    +0.081 A 
ATOM     25  C   LIG    1       -1.677   2.370  -4.498  0.00  0.00    +0.069 C 
ATOM     26  C   LIG    1       -1.844   1.655  -2.000  0.00  0.00    +0.071 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -4.065  -0.524   0.386  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -4.085  -1.985  -0.065  0.00  0.00    +0.008 C 
ATOM     29  C   LIG    1       -4.344  -0.472   1.896  0.00  0.00    +0.008 C 
ENDBRANCH  20  27
ENDBRANCH   3  20
TORSDOF 6