REMARK  Name = BDB025577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.088  -0.205   1.396  0.00  0.00    +0.198 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.855   0.088  -1.152  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.498  -0.004  -0.600  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -1.295  -0.280   0.732  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -2.283  -0.506   1.449  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -0.522   0.046  -1.687  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -1.306   0.445  -2.945  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -2.656   0.919  -2.413  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -4.165  -3.420  -0.440  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -3.770  -2.039  -0.346  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -3.414  -1.697   0.548  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -3.432  -1.311  -1.467  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -3.573  -1.732  -2.612  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -0.657   1.502  -3.640  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -1.170   1.666  -4.451  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        0.446   1.216   1.920  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        0.360   2.353   0.896  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1        0.822   3.682   1.503  0.00  0.00    +0.160 C 
ATOM     19  O   LIG    1        0.735   3.706   2.927  0.00  0.00    -0.380 OA
ATOM     20  C   LIG    1       -0.456   3.094   3.405  0.00  0.00    +0.160 C 
ATOM     21  C   LIG    1       -0.401   1.588   3.159  0.00  0.00    +0.034 C 
ENDBRANCH   1  16
BRANCH   1  22
ATOM     22  N   LIG    1        1.128  -0.904   0.653  0.00  0.00    -0.239 N 
ATOM     23  N   LIG    1        0.965  -2.217   0.380  0.00  0.00    -0.065 NA
ATOM     24  N   LIG    1        2.046  -2.634  -0.265  0.00  0.00    -0.134 NA
ATOM     25  C   LIG    1        2.906  -1.583  -0.353  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1        2.351  -0.471   0.229  0.00  0.00    +0.134 A 
BRANCH  25  27
ATOM     27  C   LIG    1        4.294  -1.645  -1.024  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        5.227  -2.771  -0.661  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        5.527  -1.374  -0.202  0.00  0.00    +0.010 C 
ENDBRANCH  25  27
ENDBRANCH   1  22
TORSDOF 6