REMARK  Name = BDB033441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.086   2.493   1.083  0.00  0.00    -0.211 N 
ATOM      2  H   LIG    1       -1.800   2.961   1.643  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -3.675  -1.307  -0.178  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.965  -0.220  -0.764  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.398   0.516   0.283  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -1.623   1.663   0.055  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -1.436   2.074  -1.268  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.980   1.355  -2.329  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.744  -0.127   1.454  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -2.392   0.134   2.371  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -2.746   0.210  -2.091  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.519  -1.224   1.188  0.00  0.00    +0.102 A 
BRANCH   3  14
ATOM     13  N   LIG    1       -5.009  -3.146  -1.422  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -4.412  -2.324  -0.861  0.00  0.00    +0.101 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1        0.091   1.831   2.102  0.00  0.00    +0.110 S 
ATOM     16  O   LIG    1       -0.517   0.732   2.824  0.00  0.00    -0.147 OA
ATOM     17  O   LIG    1        0.684   2.935   2.823  0.00  0.00    -0.147 OA
BRANCH  15  18
ATOM     18  C   LIG    1        1.377   1.149   1.107  0.00  0.00    +0.310 A 
ATOM     19  C   LIG    1        1.625  -0.126   0.638  0.00  0.00    +0.131 A 
ATOM     20 CL   LIG    1        0.731  -1.546   0.886  0.00  0.00    -0.076 Cl
ATOM     21  C   LIG    1        2.799  -0.011  -0.128  0.00  0.00    +0.107 A 
ATOM     22  N   LIG    1        3.252   1.242  -0.164  0.00  0.00    -0.079 NA
ATOM     23  O   LIG    1        2.367   1.967   0.614  0.00  0.00    -0.332 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.491  -1.175  -0.889  0.00  0.00    +0.043 C 
ATOM     25  C   LIG    1        4.206  -2.245  -0.103  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1        4.996  -1.259  -0.911  0.00  0.00    +0.010 C 
ENDBRANCH  21  24
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5