REMARK  Name = BDB011190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.644   2.854   0.190  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -2.767   1.930  -0.415  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1       -2.865   1.688  -1.740  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1       -1.955   0.894  -2.333  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.971   0.236  -1.631  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -0.938   0.327  -0.251  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1       -0.051  -0.584   0.406  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1        1.098  -1.067  -0.270  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1        1.859  -1.857   0.298  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1        1.245  -0.666  -1.603  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1        0.073  -0.509  -2.332  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1       -0.177  -0.906  -3.465  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -1.776   1.292   0.377  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -1.633   1.716   1.718  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -2.494   2.642   2.297  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.514   3.196   1.540  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.531  -0.806  -2.271  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.728  -0.888  -1.530  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        4.986  -1.002  -2.143  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        5.074  -0.977  -3.532  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.918  -0.851  -4.293  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        2.667  -0.759  -3.669  0.00  0.00    +0.026 A 
BRANCH  19  23
ATOM     23  S   LIG    1        6.491  -1.123  -1.189  0.00  0.00    -0.129 S 
ATOM     24  C   LIG    1        6.066  -2.510  -0.099  0.00  0.00    +0.090 C 
ENDBRANCH  19  23
ENDBRANCH  10  17
BRANCH   7  25
ATOM     25  C   LIG    1       -0.440  -1.368   1.591  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1        0.298  -1.006   2.891  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -0.739  -1.156   4.004  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -1.839  -2.027   3.412  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -1.917  -1.562   1.962  0.00  0.00    +0.025 C 
ENDBRANCH   7  25
BRANCH   1  31
ATOM     30  C   LIG    1       -5.524   4.322  -0.085  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.604   3.394  -0.640  0.00  0.00    -0.493 OA
ENDBRANCH   1  31
TORSDOF 4