REMARK  Name = BDB039252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.679  -3.901  -1.043  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.125  -2.699  -1.446  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        2.845  -2.245  -0.907  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.475  -0.829  -1.270  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.295  -0.030  -2.101  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        2.938   1.292  -2.406  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.752   1.858  -1.929  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.941   1.050  -1.125  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.266   1.260  -0.494  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -0.603   0.110   0.189  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.318  -0.817   0.009  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.598  -0.589  -2.617  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.279  -0.256  -0.793  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.560  -2.111  -2.703  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        5.641  -4.431  -1.588  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.854  -0.068   1.010  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.567  -0.853   2.308  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -1.921  -2.333   2.178  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -3.420  -2.524   1.896  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -4.010  -1.412   1.012  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.948  -0.733   0.152  0.00  0.00    +0.012 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.694  -3.888   1.294  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -2.899  -4.648   0.770  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -4.994  -4.235   1.395  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -5.028  -5.122   0.979  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  10  16
BRANCH   1  27
ATOM     26  C   LIG    1        4.572  -5.682   0.477  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        4.035  -4.438   0.030  0.00  0.00    -0.454 OA
ENDBRANCH   1  27
BRANCH   9  28
ATOM     28  C   LIG    1       -1.035   2.489  -0.558  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.652   3.458   0.558  0.00  0.00    +0.057 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.489   4.711   0.505  0.00  0.00    -0.046 A 
ATOM     31  C   LIG    1       -2.705   4.783   1.199  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.491   5.933   1.128  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.072   7.020   0.362  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.866   6.957  -0.334  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -1.078   5.807  -0.265  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7