REMARK  Name = BDB002256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.067  -1.560   1.339  0.00  0.00    +0.116 C 
ATOM      2  C   LIG    1       -0.341  -1.558   0.206  0.00  0.00    +0.129 C 
ATOM      3 CL   LIG    1       -0.929  -2.335  -1.249  0.00  0.00    -0.076 Cl
ATOM      4 CL   LIG    1       -2.591  -2.387   1.458  0.00  0.00    -0.073 Cl
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.014  -0.908   0.079  0.00  0.00    +0.262 C 
ATOM      6  N   LIG    1        1.800  -1.453  -0.919  0.00  0.00    -0.279 N 
ATOM      7  H   LIG    1        1.382  -2.203  -1.463  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1        1.338   0.020   0.809  0.00  0.00    -0.269 OA
BRANCH   6   9
ATOM      9  C   LIG    1        3.109  -1.077  -1.289  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        3.720  -1.746  -2.351  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        4.967  -1.492  -2.813  0.00  0.00    -0.219 NA
ATOM     12  C   LIG    1        5.652  -0.517  -2.183  0.00  0.00    +0.214 A 
ATOM     13  C   LIG    1        5.142   0.208  -1.119  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        3.852  -0.078  -0.666  0.00  0.00    +0.030 A 
BRANCH  12  15
ATOM     15  O   LIG    1        6.930  -0.193  -2.588  0.00  0.00    -0.480 OA
ATOM     16  C   LIG    1        7.387  -0.983  -3.680  0.00  0.00    +0.279 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
ENDBRANCH   2   5
BRANCH   1  17
ATOM     17  S   LIG    1       -0.500  -0.846   2.871  0.00  0.00    +0.006 S 
ATOM     18  O   LIG    1       -1.349  -1.531   4.122  0.00  0.00    -0.156 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -1.060   0.876   2.654  0.00  0.00    +0.131 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -5.142   1.406   1.322  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1       -4.079   1.720   0.476  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -2.759   1.551   0.910  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -2.484   1.061   2.196  0.00  0.00    -0.036 A 
ATOM     24  C   LIG    1       -3.556   0.756   3.042  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.872   0.925   2.604  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.800   1.991  -0.278  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -6.471   1.523   1.023  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7