REMARK  Name = BDB045715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.068   1.581   0.134  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.122   0.439  -0.635  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.260  -0.413  -0.241  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.602   2.639  -0.190  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.723   0.061   1.024  0.00  0.00    +0.217 C 
ATOM      6  N   LIG    1       -1.463   0.205   1.581  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -0.591   1.391   1.511  0.00  0.00    +0.164 C 
ATOM      8  C   LIG    1        0.519   1.117   2.536  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -0.125   0.161   3.526  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1       -1.033  -0.695   2.645  0.00  0.00    +0.140 C 
ATOM     11  O   LIG    1       -3.367  -0.973   1.191  0.00  0.00    -0.276 OA
BRANCH   9  12
ATOM     12  O   LIG    1       -0.899   0.904   4.466  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1       -0.281   1.373   5.053  0.00  0.00    +0.210 HD
ENDBRANCH   9  12
BRANCH   5  14
ATOM     14  C   LIG    1       -3.232   1.227   0.178  0.00  0.00    +0.102 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.811  -0.054  -1.371  0.00  0.00    +0.011 C 
ATOM     16  C   LIG    1       -4.671   1.123  -0.391  0.00  0.00    -0.029 C 
ATOM     17  C   LIG    1       -5.714   1.003   0.733  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -4.960   2.424  -1.171  0.00  0.00    +0.011 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  C   LIG    1        0.864   0.360  -1.869  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.174  -0.350  -1.646  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.300  -1.719  -1.904  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.512  -2.378  -1.669  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.622  -1.685  -1.163  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        4.487  -0.314  -0.901  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.276   0.345  -1.134  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.906  -2.353  -0.922  0.00  0.00    +0.039 A 
ATOM     27  S   LIG    1        5.993  -3.946  -0.271  0.00  0.00    -0.075 S 
ATOM     28  C   LIG    1        7.703  -3.867  -0.322  0.00  0.00    +0.156 A 
ATOM     29  N   LIG    1        8.221  -2.749  -0.776  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        7.196  -1.887  -1.117  0.00  0.00    +0.127 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7