REMARK  Name = BDB043705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.903  -2.748  -0.571  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -0.408  -2.664  -1.098  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.901  -3.751  -1.829  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.136  -4.908  -2.004  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.134  -5.003  -1.445  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.654  -3.928  -0.727  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.865  -1.407  -0.040  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        3.308  -1.985  -0.743  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.506  -1.584   0.154  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.765  -0.847   0.799  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.476   1.468   1.629  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        4.155   1.399   2.081  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        3.269   0.456   1.544  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        3.692  -0.426   0.548  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        5.019  -0.358   0.103  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.907   0.583   0.637  0.00  0.00    +0.017 A 
BRANCH  11  18
ATOM     17  O   LIG    1        6.074   3.286   3.091  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        6.376   2.483   2.228  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        7.619   2.445   1.714  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        8.090   3.157   2.195  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  N   LIG    1       -1.175  -1.495  -0.862  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -0.751  -0.855  -0.189  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -2.443  -1.191  -1.313  0.00  0.00    +0.248 C 
ATOM     24  O   LIG    1       -3.149  -1.894  -2.028  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -2.989   0.123  -0.854  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -4.379   0.257  -0.738  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -4.957   1.465  -0.314  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1       -4.120   2.563  -0.009  0.00  0.00    -0.018 A 
ATOM     29  C   LIG    1       -4.698   3.770   0.417  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -6.083   3.892   0.540  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.907   2.812   0.239  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -2.729   2.425  -0.143  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -6.348   1.606  -0.186  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -2.166   1.218  -0.567  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 6