REMARK  Name = BDB052741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.201   1.533   0.797  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1       -1.108   1.152   0.528  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -2.047   2.056   0.372  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -1.674   3.459   0.498  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -0.379   3.795   0.775  0.00  0.00    -0.302 N 
ATOM      6  C   LIG    1       -0.328   5.160   0.844  0.00  0.00    +0.112 A 
ATOM      7  C   LIG    1       -1.619   5.580   0.596  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -2.458   4.512   0.379  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1        0.580   2.820   0.931  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.363  -0.568   0.484  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1        2.429   0.464   0.308  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        1.195   0.454   0.980  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        0.896  -0.625   1.820  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.819  -1.653   2.005  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        3.049  -1.622   1.343  0.00  0.00    +0.023 A 
BRANCH  10  17
ATOM     16  C   LIG    1        5.652  -1.347  -0.205  0.00  0.00    +0.243 C 
ATOM     17  N   LIG    1        4.571  -0.473  -0.240  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        4.659   0.334  -0.845  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        5.747  -2.351   0.493  0.00  0.00    -0.273 OA
BRANCH  16  20
ATOM     20  C   LIG    1        6.765  -0.909  -1.182  0.00  0.00    +0.255 C 
BRANCH  20  22
ATOM     21  C   LIG    1        7.830  -2.930  -1.794  0.00  0.00    +0.194 C 
ATOM     22  O   LIG    1        7.974  -1.648  -1.198  0.00  0.00    -0.374 OA
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   3  23
ATOM     23  N   LIG    1       -3.370   1.766   0.103  0.00  0.00    -0.296 N 
ATOM     24  H   LIG    1       -3.956   2.592   0.025  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.020   0.545  -0.126  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1       -3.381  -0.695  -0.171  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -4.104  -1.875  -0.390  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -5.486  -1.847  -0.566  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1       -6.143  -0.622  -0.519  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -5.415   0.557  -0.300  0.00  0.00    +0.027 A 
BRANCH  28  31
ATOM     31  O   LIG    1       -6.066  -3.067  -0.770  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -7.477  -3.086  -0.950  0.00  0.00    +0.277 C 
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 7