REMARK  Name = BDB037282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.734  -3.101   0.703  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -1.506  -2.101   0.051  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -2.755  -2.683  -0.049  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -3.872  -2.068  -0.601  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -3.716  -0.752  -1.083  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -2.451  -0.115  -1.011  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.265   1.298  -1.518  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1       -0.940   1.896  -1.075  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        0.146   0.864  -1.284  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1       -0.069  -0.276  -0.455  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1       -2.716  -3.944   0.453  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1       -1.330  -0.809  -0.483  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1       -1.435  -4.225   0.892  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        0.609  -3.090   1.080  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1        0.887  -3.997   1.457  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        1.171  -1.913   2.163  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        0.084  -1.020   2.502  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.877  -2.671   3.178  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1        2.912   0.174   1.745  0.00  0.00    +0.148 A 
ATOM     20  C   LIG    1        2.409  -1.029   1.243  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1        2.861  -1.524   0.016  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.814  -0.812  -0.719  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        4.351   0.394  -0.249  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.871   0.868   0.990  0.00  0.00    +0.070 A 
BRANCH  23  25
ATOM     25  N   LIG    1        5.302   1.142  -0.965  0.00  0.00    -0.336 N 
ATOM     26  C   LIG    1        6.521   1.446  -0.204  0.00  0.00    +0.129 C 
ATOM     27  C   LIG    1        5.545   0.793  -2.365  0.00  0.00    +0.129 C 
ENDBRANCH  23  25
BRANCH  19  29
ATOM     28  C   LIG    1        2.803   1.892   3.405  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        2.451   0.588   2.964  0.00  0.00    -0.493 OA
ENDBRANCH  19  29
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  30
ATOM     30  C   LIG    1       -4.942  -0.083  -1.679  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -5.957   0.189  -0.668  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1       -7.108  -0.518  -0.665  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1       -7.790  -0.006   0.363  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -7.093   1.033   1.005  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -5.912   1.143   0.310  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7