REMARK  Name = BDB032844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.274  -1.613  -0.057  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        0.402  -0.462   0.273  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1       -0.041   0.217   0.876  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.165  -2.555  -0.707  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.481  -0.605   0.754  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1       -1.664  -1.712   0.482  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1       -2.178  -2.996   0.722  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.461  -3.161   1.253  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.246  -2.047   1.550  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.757  -0.765   1.304  0.00  0.00    +0.047 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -2.036   0.703   0.528  0.00  0.00    -0.425 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -1.907   2.601  -0.857  0.00  0.00    +0.136 C 
ATOM     13  C   LIG    1       -2.448   1.210  -0.703  0.00  0.00    +0.309 C 
ATOM     14  O   LIG    1       -3.128   0.634  -1.538  0.00  0.00    -0.251 OA
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   2  15
ATOM     15  C   LIG    1        1.662  -0.094  -0.117  0.00  0.00    +0.167 A 
ATOM     16  S   LIG    1        2.649  -1.046  -1.122  0.00  0.00    -0.028 S 
ATOM     17  C   LIG    1        3.861   0.144  -1.036  0.00  0.00    +0.187 A 
ATOM     18  C   LIG    1        3.452   1.208  -0.254  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1        4.195   2.451   0.086  0.00  0.00    +0.068 C 
ATOM     20  N   LIG    1        2.171   1.053   0.270  0.00  0.00    -0.227 NA
BRANCH  17  21
ATOM     21  N   LIG    1        5.102  -0.027  -1.730  0.00  0.00    +0.065 N 
ATOM     22  O   LIG    1        5.828   0.972  -1.825  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        5.372  -1.147  -2.180  0.00  0.00    -0.126 OA
ENDBRANCH  17  21
ENDBRANCH   2  15
TORSDOF 5