REMARK  Name = BDB031586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.518   0.250   0.043  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1        0.018  -0.444   0.552  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.066   1.441  -0.307  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1       -0.560   2.339  -0.863  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.514  -1.877   0.424  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.460  -1.321   0.130  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.360  -2.050  -0.246  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -3.471  -3.052  -0.166  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.062  -1.601  -0.243  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -1.118  -2.387  -0.173  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.880  -0.084  -0.335  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.909   0.595   0.562  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.308   0.182   0.131  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.465   1.586   0.087  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1        2.509   0.573   0.103  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.715   1.093   0.591  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.870   0.296   0.727  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.821  -1.045   0.347  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.654  -1.584  -0.168  0.00  0.00    +0.001 A 
ATOM     20  S   LIG    1        3.583   2.766   0.965  0.00  0.00    -0.096 S 
ATOM     21  C   LIG    1        2.508  -0.791  -0.298  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.955   2.817   0.481  0.00  0.00    +0.059 A 
ENDBRANCH   3  14
TORSDOF 2