REMARK  Name = BDB037244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.374   0.162  -0.930  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1        0.277   0.652  -1.522  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1        0.077  -0.329   0.261  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -0.524  -1.089   1.011  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.444   0.164   0.614  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        2.032   0.993  -0.291  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.271   1.437   0.012  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.956   1.100   1.180  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.315   0.246   2.087  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.040  -0.233   1.803  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.903   2.298  -0.859  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.216   2.479  -2.093  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.342   1.618   1.458  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.365   0.987   0.629  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        7.348   1.744   0.096  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        8.117   0.864  -0.547  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.660  -0.457  -0.398  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.537  -0.350   0.387  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.643  -0.545  -1.753  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.007   0.472  -2.720  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -1.029  -1.900  -2.137  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -1.774  -2.525  -2.456  0.00  0.00    +0.199 HD
BRANCH  19  26
ATOM     23  C   LIG    1       -5.252  -1.050   1.019  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -4.455   0.087   1.098  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1       -3.381   0.248   0.217  0.00  0.00    +0.145 A 
ATOM     26  C   LIG    1       -3.058  -0.757  -0.706  0.00  0.00    +0.148 A 
ATOM     27  C   LIG    1       -3.879  -1.889  -0.821  0.00  0.00    +0.145 A 
ATOM     28  C   LIG    1       -4.971  -2.020   0.051  0.00  0.00    +0.092 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -6.611  -0.422   2.868  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.337  -1.327   1.805  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -2.635   1.395   0.317  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -3.320   2.499  -0.280  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  27  33
ATOM     33  O   LIG    1       -3.598  -2.789  -1.815  0.00  0.00    -0.494 OA
ATOM     34  C   LIG    1       -4.293  -4.033  -1.799  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 9