REMARK  Name = BDB021594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.248   2.069  -1.479  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.600   1.164  -2.018  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.285   0.152  -2.691  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.676  -1.093  -3.127  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.553  -0.840  -3.969  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        1.696  -0.796  -3.134  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        1.864   0.337  -2.394  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        3.229   0.540  -2.106  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        3.658   1.631  -1.350  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        2.728   2.555  -0.898  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.371   2.345  -1.163  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        0.900   1.228  -1.901  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        5.095   1.858  -1.077  0.00  0.00    +0.247 C 
ATOM     14  N   LIG    1        5.858   0.787  -0.644  0.00  0.00    -0.287 N 
ATOM     15  C   LIG    1        7.252   0.986  -0.264  0.00  0.00    +0.102 C 
ATOM     16  C   LIG    1        7.278   1.581   1.167  0.00  0.00    +0.182 C 
ATOM     17  O   LIG    1        6.654   0.689   2.119  0.00  0.00    -0.376 OA
ATOM     18  C   LIG    1        5.353   0.251   1.676  0.00  0.00    +0.182 C 
ATOM     19  C   LIG    1        7.776  -0.456  -0.258  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1        6.537  -1.313   0.070  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        5.398  -0.296   0.225  0.00  0.00    +0.102 C 
ATOM     22  O   LIG    1        5.555   2.983  -1.250  0.00  0.00    -0.270 OA
ENDBRANCH   9  13
BRANCH   3  23
ATOM     23  C   LIG    1       -2.754   0.156  -2.573  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.246  -0.505  -1.266  0.00  0.00    +0.146 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -3.096  -1.931  -1.392  0.00  0.00    -0.389 OA
ATOM     26  H   LIG    1       -3.833  -2.258  -1.936  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
BRANCH  24  27
ATOM     27  C   LIG    1       -4.726  -0.124  -0.999  0.00  0.00    +0.117 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.319  -0.467   0.306  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1       -4.763   0.353   1.399  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1       -5.340   0.012   2.758  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -5.962  -1.228   2.989  0.00  0.00    -0.042 A 
ATOM     32  C   LIG    1       -6.461  -1.532   4.262  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.320  -0.621   5.309  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.687   0.601   5.090  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -6.147  -2.199   1.849  0.00  0.00    +0.051 C 
ATOM     36  C   LIG    1       -5.197   0.915   3.822  0.00  0.00    +0.005 A 
ATOM     37  C   LIG    1       -5.232  -1.888   0.656  0.00  0.00    +0.089 C 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6