REMARK  Name = BDB023347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.453   1.304  -0.610  0.00  0.00    +0.075 S 
ATOM      2  O   LIG    1       -1.718   2.103   0.565  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.532   1.866  -1.943  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -4.821  -3.768  -0.589  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -3.991  -2.518  -0.582  0.00  0.00    -0.050 A 
ATOM      6  C   LIG    1       -4.566  -1.289  -0.228  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.826  -0.088  -0.240  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.472  -0.155  -0.616  0.00  0.00    +0.116 A 
ATOM      9  C   LIG    1       -1.901  -1.377  -1.009  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.658  -2.549  -0.992  0.00  0.00    +0.005 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.531   1.158   0.090  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -4.887   2.071  -0.915  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -5.573   3.246  -0.603  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.918   3.523   0.718  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.576   2.626   1.728  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.889   1.450   1.416  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  N   LIG    1        0.102   0.751  -0.469  0.00  0.00    -0.179 N 
ATOM     18  H   LIG    1        0.718   1.022  -1.231  0.00  0.00    +0.177 HD
ATOM     19  C   LIG    1        0.640   0.194   0.694  0.00  0.00    +0.298 C 
ATOM     20  O   LIG    1       -0.036  -0.166   1.645  0.00  0.00    -0.265 OA
BRANCH  19  21
ATOM     21  C   LIG    1        2.076   0.051   0.614  0.00  0.00    +0.192 A 
ATOM     22  O   LIG    1        2.730   0.435  -0.529  0.00  0.00    -0.450 OA
ATOM     23  C   LIG    1        4.056   0.191  -0.337  0.00  0.00    +0.136 A 
ATOM     24  C   LIG    1        4.276  -0.352   0.923  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        5.597  -0.670   1.310  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        6.624  -0.414   0.373  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        6.367   0.122  -0.899  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        7.504   0.404  -1.839  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        5.964  -1.250   2.646  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        5.056   0.449  -1.270  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1        2.991  -0.439   1.527  0.00  0.00    +0.063 A 
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 4