REMARK  Name = BDB001777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887  -1.340  -2.509  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -0.601  -2.182  -1.433  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.721  -2.368  -1.015  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1        1.778  -1.738  -1.692  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1        1.486  -0.923  -2.790  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.161  -0.716  -3.190  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  16
ATOM      7  C   LIG    1       -5.565   3.899   0.976  0.00  0.00    +0.061 C 
ATOM      8  C   LIG    1       -5.182   2.939   0.132  0.00  0.00    +0.153 A 
ATOM      9  O   LIG    1       -3.870   2.432   0.100  0.00  0.00    -0.370 OA
ATOM     10  N   LIG    1       -3.968   1.460  -0.897  0.00  0.00    -0.141 N 
ATOM     11  C   LIG    1       -5.204   1.399  -1.464  0.00  0.00    +0.156 A 
ATOM     12  N   LIG    1       -5.492   0.561  -2.490  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1       -6.416   0.533  -2.901  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1       -4.549  -0.282  -3.040  0.00  0.00    +0.261 A 
ATOM     15  C   LIG    1       -3.152  -0.245  -2.437  0.00  0.00    +0.085 A 
ATOM     16  C   LIG    1       -2.270  -1.132  -2.938  0.00  0.00    +0.025 C 
ATOM     17  O   LIG    1       -4.857  -1.018  -3.975  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1       -2.876   0.750  -1.319  0.00  0.00    +0.177 A 
ATOM     19  N   LIG    1       -1.693   0.925  -0.809  0.00  0.00    -0.280 NA
ATOM     20  H   LIG    1       -1.779   1.641  -0.079  0.00  0.00    +0.188 HD
ATOM     21  C   LIG    1       -6.003   2.280  -0.864  0.00  0.00    +0.096 A 
ENDBRANCH   1  16
BRANCH   3  22
ATOM     22  O   LIG    1        0.883  -3.225   0.045  0.00  0.00    -0.489 OA
BRANCH  22  23
ATOM     23  C   LIG    1        1.573  -2.621   1.145  0.00  0.00    +0.226 C 
ATOM     24  C   LIG    1        1.064  -3.259   2.425  0.00  0.00    +0.048 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   4  25
ATOM     25  O   LIG    1        3.054  -2.014  -1.279  0.00  0.00    -0.485 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.019  -0.956  -1.360  0.00  0.00    +0.270 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.763   0.153  -0.334  0.00  0.00    +0.270 C 
BRANCH  27  28
ATOM     28  O   LIG    1        4.055  -0.357   0.972  0.00  0.00    -0.489 OA
BRANCH  28  29
ATOM     29  C   LIG    1        3.801   0.463   2.035  0.00  0.00    +0.121 A 
ATOM     30  C   LIG    1        4.037  -0.115   3.285  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1        3.816   0.609   4.458  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        3.358   1.922   4.385  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.123   2.507   3.142  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        3.344   1.780   1.968  0.00  0.00    +0.045 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 8