REMARK  Name = BDB063947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.944  -0.296  -1.491  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.663  -0.957  -1.788  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -2.571  -1.022  -0.071  0.00  0.00    +0.116 C 
ATOM      4  C   LIG    1       -2.987  -2.051  -1.140  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -1.793  -2.948  -1.499  0.00  0.00    -0.005 C 
ATOM      6  C   LIG    1       -0.642  -2.069  -2.017  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -0.187  -1.054  -0.935  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        0.257  -1.841   0.318  0.00  0.00    +0.029 C 
ATOM      9  C   LIG    1       -0.901  -2.706   0.841  0.00  0.00    -0.005 C 
ATOM     10  C   LIG    1       -1.325  -3.704  -0.247  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -1.390  -0.161  -0.571  0.00  0.00    +0.073 C 
ATOM     12  C   LIG    1       -2.093  -1.800   1.181  0.00  0.00    +0.051 C 
BRANCH   3  13
ATOM     13  O   LIG    1       -3.686  -0.223   0.382  0.00  0.00    -0.458 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -4.342   0.609  -0.474  0.00  0.00    +0.313 C 
ATOM     15  O   LIG    1       -4.056   0.767  -1.652  0.00  0.00    -0.250 OA
BRANCH  14  17
ATOM     16  C   LIG    1       -4.914   2.180   1.387  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -5.487   1.328   0.247  0.00  0.00    +0.059 C 
ATOM     18  C   LIG    1       -6.221   2.245  -0.745  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -6.477   0.292   0.796  0.00  0.00    +0.022 C 
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
ENDBRANCH   1   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.583   0.703  -0.825  0.00  0.00    +0.188 C 
ATOM     21  N   LIG    1        0.973   1.872  -0.540  0.00  0.00    -0.253 N 
ATOM     22  H   LIG    1        0.055   2.155  -0.831  0.00  0.00    +0.158 HD
ATOM     23  C   LIG    1        1.862   2.696   0.068  0.00  0.00    +0.269 C 
ATOM     24  O   LIG    1        1.706   3.840   0.444  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        3.082   1.846   0.140  0.00  0.00    +0.130 C 
ATOM     26  C   LIG    1        4.219   2.286   0.693  0.00  0.00    +0.041 C 
ATOM     27  N   LIG    1        2.826   0.629  -0.456  0.00  0.00    -0.213 NA
BRANCH  26  28
ATOM     28  C   LIG    1        5.486   1.545   0.803  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1        6.687   2.268   0.706  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        7.907   1.582   0.843  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        7.960   0.209   1.087  0.00  0.00    +0.078 A 
ATOM     32  N   LIG    1        9.233  -0.328   1.200  0.00  0.00    -0.247 NA
ATOM     33  C   LIG    1       10.123   0.625   1.042  0.00  0.00    +0.157 A 
ATOM     34  C   LIG    1        6.751  -0.502   1.199  0.00  0.00    +0.029 A 
ATOM     35  S   LIG    1        9.515   2.199   0.757  0.00  0.00    -0.075 S 
ATOM     36  C   LIG    1        5.530   0.172   1.063  0.00  0.00    +0.010 A 
ENDBRANCH  26  28
ENDBRANCH   1  20
TORSDOF 6