REMARK  Name = BDB007745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.518   1.228   0.134  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.845   2.075   1.482  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.957   1.414   0.456  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1        1.886   0.890  -0.233  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        2.005   0.644  -1.209  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        4.307   1.166  -0.129  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        4.554   0.063  -0.962  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        5.856  -0.108  -1.469  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        6.895   0.774  -1.163  0.00  0.00    +0.078 A 
ATOM     10  N   LIG    1        8.118   0.474  -1.740  0.00  0.00    -0.247 NA
ATOM     11  C   LIG    1        8.007  -0.617  -2.462  0.00  0.00    +0.157 A 
ATOM     12  C   LIG    1        6.629   1.866  -0.314  0.00  0.00    +0.029 A 
ATOM     13  S   LIG    1        6.460  -1.347  -2.505  0.00  0.00    -0.075 S 
ATOM     14  C   LIG    1        5.339   2.050   0.199  0.00  0.00    +0.015 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.470   0.238  -0.498  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -0.220   0.189  -1.918  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -0.832  -0.471  -2.289  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.941   0.644  -0.252  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.332   0.756   1.162  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.381  -0.539   1.865  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -3.577  -1.401   1.521  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.764  -0.823   1.036  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.873  -1.635   0.763  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.810  -3.010   0.988  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.642  -3.583   1.484  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.827   0.657   0.748  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -3.531  -2.783   1.754  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.632   1.432   1.325  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6