REMARK  Name = BDB032878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.371   1.380  -0.699  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.877   0.915  -1.028  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.278   1.320  -1.863  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.033   1.991  -1.540  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.291   0.987   0.884  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.918   1.253   0.679  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.057   1.450   1.773  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -0.537   1.313   3.073  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.875   0.996   3.283  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.746   0.840   2.198  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -5.087   0.701  -1.645  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.502   0.600  -0.258  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.155   0.902  -0.236  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.735   1.178  -1.125  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.203   0.292   0.699  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        1.503  -0.246  -0.646  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1        0.722  -1.464   0.261  0.00  0.00    -0.059 S 
ATOM     18  C   LIG    1        2.128  -2.435   0.171  0.00  0.00    +0.095 A 
ATOM     19  C   LIG    1        3.087  -1.781  -0.576  0.00  0.00    +0.185 A 
ATOM     20  N   LIG    1        2.714  -0.531  -1.063  0.00  0.00    -0.206 NA
BRANCH  19  21
ATOM     21  S   LIG    1        4.653  -2.465  -0.897  0.00  0.00    +0.012 S 
ATOM     22  O   LIG    1        5.302  -2.486   0.398  0.00  0.00    -0.168 OA
ATOM     23  O   LIG    1        4.368  -3.673  -1.644  0.00  0.00    -0.168 OA
ATOM     24  C   LIG    1        5.455  -1.287  -1.950  0.00  0.00    +0.202 C 
ENDBRANCH  19  21
ENDBRANCH   2  16
TORSDOF 4