REMARK  Name = BDB057242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.839   0.817   1.831  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.647   0.440   1.205  0.00  0.00    -0.293 N 
ATOM      3  O   LIG    1       -2.914   1.172   3.005  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -5.470   1.626  -0.752  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -4.265   1.631  -0.047  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -4.098   0.792   1.059  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -5.144  -0.024   1.495  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -6.346  -0.030   0.791  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -6.507   0.789  -0.333  0.00  0.00    +0.045 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -6.732   2.558  -2.539  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -5.506   2.477  -1.823  0.00  0.00    -0.495 OA
ENDBRANCH   4  11
ENDBRANCH   1   6
BRANCH   2  12
ATOM     12  C   LIG    1       -1.595  -0.338  -0.043  0.00  0.00    +0.112 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.814  -1.807   0.290  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -0.605  -2.649   0.786  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -1.159  -3.812  -0.060  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -1.832  -2.747  -0.947  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
ENDBRANCH   2  12
BRANCH   2  17
ATOM     17  C   LIG    1       -0.415   0.571   1.989  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.702   1.248   1.228  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1        1.908   0.573   0.974  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        2.949   1.189   0.262  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.762   2.503  -0.191  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.572   3.188   0.064  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        0.548   2.564   0.772  0.00  0.00    +0.005 A 
BRANCH  20  24
ATOM     24  C   LIG    1        4.206   0.508  -0.022  0.00  0.00    +0.089 A 
ATOM     25  N   LIG    1        5.203   1.070  -0.819  0.00  0.00    -0.232 NA
ATOM     26  C   LIG    1        6.153   0.175  -0.825  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        7.499   0.034  -1.410  0.00  0.00    +0.076 C 
ATOM     28  C   LIG    1        8.069  -1.153  -0.591  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1        6.848  -1.926  -0.056  0.00  0.00    +0.123 C 
ATOM     30  N   LIG    1        5.815  -0.915  -0.090  0.00  0.00    -0.334 N 
ATOM     31  C   LIG    1        4.593  -0.744   0.443  0.00  0.00    +0.115 A 
ENDBRANCH  20  24
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7