REMARK  Name = BDB039158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.860  -0.501  -0.925  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.586  -1.023  -0.792  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.504  -0.081  -0.529  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.199  -0.718  -0.121  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.037  -2.122  -0.062  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        0.821  -2.689   0.346  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.282  -1.896   0.676  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.117  -0.510   0.587  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.965   0.557   0.813  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.255   1.714   0.604  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.974   1.445   0.215  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.208  -3.019  -0.383  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.083   0.079   0.206  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.209  -2.333  -1.309  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.152   0.666  -0.687  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.764   3.183   0.775  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        0.282   4.177   1.345  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -0.278   5.217   0.352  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -0.730   4.030  -0.523  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  21
ATOM     20  C   LIG    1        8.093  -0.924  -1.490  0.00  0.00    +0.282 C 
ATOM     21  O   LIG    1        6.764  -1.427  -1.351  0.00  0.00    -0.454 OA
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1       -2.359   0.427   1.211  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.273   0.064   0.025  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.377  -0.884   0.469  0.00  0.00    -0.032 A 
ATOM     25  C   LIG    1       -5.411  -0.449   1.313  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.415  -1.332   1.713  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.395  -2.656   1.280  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.370  -3.101   0.447  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.365  -2.222   0.044  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
BRANCH  23  30
ATOM     30  C   LIG    1       -3.845   1.310  -0.640  0.00  0.00    +0.314 C 
ATOM     31  O   LIG    1       -3.680   2.453  -0.242  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.585   1.045  -1.744  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1       -4.715   0.091  -1.917  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 7