REMARK  Name = BDB055815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.330  -0.463  -0.154  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1        0.078  -1.554  -0.932  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1        1.020  -2.451  -0.424  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        1.525  -2.275   0.867  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.110  -1.191   1.643  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        0.178  -0.285   1.139  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.433   0.688   0.002  0.00  0.00    -0.312 N 
ATOM      8  H   LIG    1       -2.655   0.040   0.746  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.249   0.559  -0.689  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -0.934   1.214  -1.673  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -3.210   3.014   0.082  0.00  0.00    +0.024 C 
ATOM     12  C   LIG    1       -3.463   1.609  -0.432  0.00  0.00    +0.101 C 
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  N   LIG    1        1.653  -0.964   2.937  0.00  0.00    -0.216 N 
ATOM     14  H   LIG    1        1.099  -0.450   3.620  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1        3.308  -0.682   3.121  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        3.479  -0.161   4.460  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        4.049  -1.835   2.659  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.611   0.657   1.988  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1        4.118   0.384   0.714  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        4.359   1.437  -0.172  0.00  0.00    +0.061 A 
ATOM     21 CL   LIG    1        4.970   1.040  -1.739  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        4.108   2.757   0.223  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        4.387   4.106  -0.819  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        3.618   3.021   1.508  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        3.373   1.972   2.397  0.00  0.00    +0.030 A 
ENDBRANCH  15  18
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   2  26
ATOM     26  O   LIG    1       -0.369  -1.783  -2.213  0.00  0.00    -0.454 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.713  -2.033  -2.352  0.00  0.00    +0.148 A 
ATOM     28  C   LIG    1       -2.391  -1.371  -3.372  0.00  0.00    +0.069 A 
ATOM     29  C   LIG    1       -3.752  -1.600  -3.534  0.00  0.00    +0.063 A 
ATOM     30 CL   LIG    1       -4.637  -0.786  -4.759  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -4.381  -2.496  -2.680  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1       -3.745  -3.170  -1.689  0.00  0.00    -0.258 NA
ATOM     33  C   LIG    1       -2.419  -2.931  -1.558  0.00  0.00    +0.157 A 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 7