REMARK  Name = BDB052144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.046  -1.231   1.478  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.802  -0.461   0.587  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -3.192  -0.643   0.466  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.793  -1.641   1.246  0.00  0.00    +0.050 A 
ATOM      5  N   LIG    1       -5.162  -1.877   1.134  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -5.607  -2.593   1.692  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.981  -1.200   0.281  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.360  -0.138  -0.574  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.355   0.504  -1.504  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -5.600   1.442  -2.861  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -4.341   2.288  -1.883  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -3.392   1.280  -1.239  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -7.182  -1.450   0.233  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -3.048  -2.421   2.131  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -4.044   0.156  -0.459  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.676  -2.213   2.242  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  17
ATOM     17  O   LIG    1        0.305  -1.145   1.672  0.00  0.00    -0.489 OA
BRANCH  17  21
ATOM     18  N   LIG    1        3.796   0.467   0.202  0.00  0.00    -0.300 NA
ATOM     19  C   LIG    1        3.272   1.067   1.437  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1        2.196   0.227   2.112  0.00  0.00    +0.060 C 
ATOM     21  C   LIG    1        1.007   0.002   1.173  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1        1.463  -0.227  -0.274  0.00  0.00    +0.060 C 
ATOM     23  C   LIG    1        2.944  -0.592  -0.354  0.00  0.00    +0.088 C 
BRANCH  18  24
ATOM     24  C   LIG    1        5.200   0.040   0.354  0.00  0.00    +0.112 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.883  -0.522  -0.913  0.00  0.00    +0.174 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.397   1.558  -1.959  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1        5.757   0.296  -2.078  0.00  0.00    -0.382 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5