REMARK  Name = BDB036551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.501  -0.836   0.686  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -2.341  -0.100  -0.187  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -1.909   0.192  -1.487  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.665  -0.303  -1.868  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.180  -1.035  -1.052  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        1.309  -1.281  -1.882  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1        1.135  -0.773  -3.108  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.095  -0.145  -3.089  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -0.253  -1.319   0.258  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.188  -1.700   2.892  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -2.025  -1.043   1.946  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1       -3.567   0.404   0.326  0.00  0.00    -0.297 N 
ATOM     13  H   LIG    1       -3.752  -0.037   1.225  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.775   0.652  -0.363  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1       -4.914   0.347  -1.671  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1       -6.094   0.623  -2.270  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -7.168   1.209  -1.627  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -7.021   1.534  -0.287  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -5.812   1.256   0.349  0.00  0.00    +0.044 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1        2.508  -1.937  -1.624  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1        3.162  -1.911  -2.404  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.327  -1.883  -0.163  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1        2.590  -2.716   0.765  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        4.714  -2.192  -0.449  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.274  -0.181   0.345  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        2.856   0.176   1.633  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1        2.754   1.522   1.991  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        3.119   2.514   1.087  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        3.578   2.164  -0.183  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        3.655   0.820  -0.570  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1        2.465  -0.736   2.574  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        3.570  -1.107   3.402  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1        4.105   0.418  -1.800  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        4.177   1.398  -2.831  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8