REMARK  Name = BDB021593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.276  -2.448   0.487  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.343  -1.252   0.191  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.710  -0.616  -0.463  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.692   0.791  -0.809  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.406   1.623   0.425  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -0.981   1.890   0.542  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -1.849   0.842   0.648  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.148   1.309   0.931  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -4.224   0.433   1.079  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.013  -0.935   0.984  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -2.731  -1.407   0.695  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -1.626  -0.537   0.508  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -5.557   0.986   1.395  0.00  0.00    +0.247 C 
ATOM     14  N   LIG    1       -6.619   0.648   0.585  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1       -6.618  -0.011  -0.727  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -7.629   0.843  -1.498  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -8.709   0.685  -0.423  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -8.839  -0.850  -0.351  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1       -7.391  -1.332  -0.574  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -7.952   1.188   0.819  0.00  0.00    +0.112 C 
ATOM     21  O   LIG    1       -5.662   1.742   2.358  0.00  0.00    -0.270 OA
ENDBRANCH   9  13
BRANCH   3  22
ATOM     22  C   LIG    1        1.957  -1.364  -0.685  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.040  -1.209   0.412  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1        2.453  -1.270   1.719  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1        3.143  -1.565   2.338  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        3.881   0.085   0.317  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.516   0.343  -0.987  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        5.606  -0.600  -1.304  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        6.894  -0.363  -0.546  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        7.199   0.907  -0.021  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        8.415   1.112   0.642  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        9.334   0.071   0.766  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        9.044  -1.182   0.232  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.194   2.028  -0.113  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        7.832  -1.398  -0.425  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        5.040   1.719  -1.081  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6