REMARK  Name = BDB046746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.216  -0.152   0.951  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        0.198  -0.064   1.028  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.010  -1.110   0.580  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        0.372  -2.226   0.081  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1        0.907  -3.413  -0.434  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -0.149  -4.266  -0.822  0.00  0.00    +0.330 A 
ATOM      7  N   LIG    1       -1.342  -3.570  -0.523  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -2.671  -4.052  -0.767  0.00  0.00    +0.154 C 
ATOM      9  O   LIG    1       -0.052  -5.378  -1.316  0.00  0.00    -0.246 OA
ATOM     10  C   LIG    1        2.306  -3.704  -0.566  0.00  0.00    +0.154 C 
ATOM     11  C   LIG    1       -1.021  -2.322   0.024  0.00  0.00    +0.073 A 
ATOM     12  C   LIG    1       -1.843  -1.306   0.462  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   2  13
ATOM     13  N   LIG    1        0.803   1.146   1.498  0.00  0.00    -0.213 N 
ATOM     14  H   LIG    1        0.251   1.667   2.183  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        1.361   2.231   0.318  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        1.472   3.518   0.972  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        0.590   2.064  -0.894  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.015   1.654   0.026  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        3.342   1.058  -1.192  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        4.645   0.600  -1.398  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        5.620   0.744  -0.405  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        5.284   1.356   0.806  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.981   1.815   1.023  0.00  0.00    +0.032 A 
BRANCH  21  24
ATOM     24  O   LIG    1        6.849   0.247  -0.740  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1        7.895   0.421   0.208  0.00  0.00    +0.277 C 
ENDBRANCH  21  24
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   2  13
BRANCH   1  26
ATOM     26  O   LIG    1       -1.938   0.913   1.458  0.00  0.00    -0.454 OA
BRANCH  26  30
ATOM     27  C   LIG    1       -5.329   2.229  -0.585  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1       -4.121   2.085  -1.273  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -2.972   1.643  -0.613  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1       -3.038   1.326   0.743  0.00  0.00    +0.129 A 
ATOM     31  C   LIG    1       -4.232   1.489   1.443  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1       -5.380   1.932   0.779  0.00  0.00    +0.049 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -7.617   2.867  -0.693  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -6.373   2.667  -1.352  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  26  30
ENDBRANCH   1  26
TORSDOF 7