REMARK  Name = BDB055392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.155  -0.862  -0.757  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1        2.300  -0.552   0.021  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.987  -0.452   1.346  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        2.876  -0.185   2.348  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1        2.588  -0.163   3.316  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        4.213  -0.016   2.041  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1        4.598  -0.071   0.587  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1        5.032   0.141   2.941  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1        0.370  -0.712   1.701  0.00  0.00    -0.064 S 
ATOM     10  C   LIG    1        3.661  -0.346  -0.348  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.006  -0.920   0.022  0.00  0.00    +0.097 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -1.346  -1.246  -0.405  0.00  0.00    +0.255 C 
ATOM     13  N   LIG    1       -2.406  -0.422   0.003  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1       -2.236   0.958   0.471  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -3.345   1.871  -0.042  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -4.732   1.379   0.370  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -4.803  -0.140   0.533  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -3.764  -0.853  -0.321  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1       -1.561  -2.218  -1.133  0.00  0.00    -0.269 OA
ENDBRANCH  11  12
BRANCH   1  20
ATOM     20  N   LIG    1        1.171  -1.064  -2.096  0.00  0.00    -0.356 N 
ATOM     21  H   LIG    1        0.379  -1.559  -2.516  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1        2.038  -1.316  -2.563  0.00  0.00    +0.142 HD
ENDBRANCH   1  20
BRANCH   7  23
ATOM     23  C   LIG    1        5.965   0.159   0.101  0.00  0.00    +0.342 C 
ATOM     24  O   LIG    1        6.447  -0.318  -0.914  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.658   1.033   0.845  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        7.540   1.085   0.424  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   7  23
TORSDOF 4