REMARK  Name = BDB055820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.980  -0.526   0.069  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.917  -0.859   1.053  0.00  0.00    +0.139 A 
ATOM      3  C   LIG    1       -1.562  -0.787   2.400  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.293  -0.331   2.763  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.633   0.061   1.789  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.296  -0.075   0.440  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -0.944   0.424  -2.307  0.00  0.00    +0.092 C 
ATOM      8  C   LIG    1       -1.286  -0.702  -1.369  0.00  0.00    +0.164 C 
ATOM      9  O   LIG    1       -1.779  -1.755  -1.761  0.00  0.00    -0.292 OA
ENDBRANCH   1   8
BRANCH   5  10
ATOM     10  N   LIG    1        1.931   0.439   2.248  0.00  0.00    -0.216 N 
ATOM     11  H   LIG    1        2.066   0.589   3.249  0.00  0.00    +0.174 HD
BRANCH  10  12
ATOM     12  S   LIG    1        2.999   1.386   1.352  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1        3.951   1.890   2.318  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        2.214   2.258   0.507  0.00  0.00    -0.150 OA
BRANCH  12  15
ATOM     15  C   LIG    1        3.884   0.240   0.327  0.00  0.00    +0.127 A 
ATOM     16  C   LIG    1        4.692   0.712  -0.713  0.00  0.00    +0.069 A 
ATOM     17 CL   LIG    1        4.939   2.387  -1.052  0.00  0.00    -0.081 Cl
ATOM     18  C   LIG    1        5.373  -0.198  -1.530  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        5.253  -1.567  -1.302  0.00  0.00    +0.042 A 
ATOM     20 CL   LIG    1        6.093  -2.679  -2.310  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        4.463  -2.042  -0.259  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        3.780  -1.140   0.561  0.00  0.00    +0.032 A 
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   5  10
BRANCH   2  23
ATOM     23  O   LIG    1       -3.182  -1.313   0.764  0.00  0.00    -0.454 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.050  -0.402   0.210  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -4.185   0.913   0.654  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -5.122   1.737   0.038  0.00  0.00    +0.063 A 
ATOM     27 CL   LIG    1       -5.316   3.365   0.547  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -5.896   1.216  -0.989  0.00  0.00    +0.131 A 
ATOM     29  N   LIG    1       -5.798  -0.060  -1.432  0.00  0.00    -0.258 NA
ATOM     30  C   LIG    1       -4.876  -0.841  -0.818  0.00  0.00    +0.157 A 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 6