REMARK  Name = BDB055390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.205   0.849   0.290  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        1.482   1.021   0.813  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        2.467   0.356   0.041  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        1.911  -0.260  -1.043  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        2.599  -0.976  -1.983  0.00  0.00    -0.316 N 
ATOM      6  H   LIG    1        2.123  -1.403  -2.766  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        3.962  -1.105  -1.850  0.00  0.00    +0.264 A 
ATOM      8  C   LIG    1        4.630  -0.451  -0.675  0.00  0.00    +0.124 A 
ATOM      9  O   LIG    1        4.636  -1.737  -2.664  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        3.879   0.240   0.211  0.00  0.00    +0.032 A 
ATOM     11  S   LIG    1        0.251  -0.074  -1.173  0.00  0.00    -0.065 S 
ENDROOT
BRANCH   2  12
ATOM     12  N   LIG    1        1.741   1.732   1.935  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1        2.672   2.083   2.136  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1        1.016   2.365   2.288  0.00  0.00    +0.142 HD
ENDBRANCH   2  12
BRANCH   1  15
ATOM     15  C   LIG    1       -1.040   1.414   0.796  0.00  0.00    +0.202 C 
ATOM     16  O   LIG    1       -1.079   2.458   1.450  0.00  0.00    -0.286 OA
BRANCH  15  21
ATOM     17  C   LIG    1       -6.164  -1.142  -0.070  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.825  -0.493   0.126  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1       -4.679   0.890  -0.042  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.442   1.501   0.174  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -2.338   0.731   0.555  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.485  -0.645   0.762  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -3.725  -1.252   0.545  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   1  15
BRANCH   8  24
ATOM     24  C   LIG    1        6.089  -0.532  -0.441  0.00  0.00    +0.342 C 
ATOM     25  O   LIG    1        6.643   0.001   0.511  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.778  -1.241  -1.360  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        6.227  -1.623  -2.086  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 5