REMARK  Name = BDB059407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.574  -0.174   0.024  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.220   0.539  -0.991  0.00  0.00    +0.230 A 
ATOM      3  N   LIG    1        2.556   0.500  -1.211  0.00  0.00    -0.220 NA
ATOM      4  C   LIG    1        3.291  -0.265  -0.376  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1        2.763  -0.986   0.691  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1        1.377  -0.933   0.882  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -4.085   0.658   1.930  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.969   0.217   1.053  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -3.074  -0.426  -0.169  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.803  -0.662  -0.662  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -1.613  -1.329  -1.871  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -2.673  -1.733  -2.583  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -3.946  -1.495  -2.119  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -4.751  -1.791  -2.656  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -0.875  -0.149   0.231  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1       -4.236  -0.848  -0.926  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -5.402  -0.676  -0.579  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.580   0.375   1.302  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   2  19
ATOM     19  O   LIG    1        0.506   1.294  -1.899  0.00  0.00    -0.434 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.043   2.508  -1.441  0.00  0.00    +0.166 A 
ATOM     21  C   LIG    1       -1.244   2.886  -1.832  0.00  0.00    +0.168 A 
ATOM     22  F   LIG    1       -1.978   2.073  -2.605  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1       -1.791   4.095  -1.421  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1       -1.027   4.938  -0.626  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1       -1.540   6.108  -0.223  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        0.268   4.594  -0.245  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        0.812   3.376  -0.659  0.00  0.00    +0.052 A 
ENDBRANCH  19  20
ENDBRANCH   2  19
BRANCH   5  28
ATOM     28  C   LIG    1        3.642  -1.810   1.586  0.00  0.00    +0.202 C 
BRANCH  28  29
ATOM     29  S   LIG    1        4.001  -3.371   0.788  0.00  0.00    -0.030 S 
ATOM     30  O   LIG    1        2.764  -4.113   0.635  0.00  0.00    -0.174 OA
ATOM     31  O   LIG    1        4.873  -3.119  -0.344  0.00  0.00    -0.174 OA
ATOM     32  C   LIG    1        4.968  -4.213   2.015  0.00  0.00    +0.194 C 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 5