REMARK  Name = BDB023403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.991   2.034  -1.092  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -1.030   2.297  -2.514  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.990   3.091  -0.106  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -2.418   0.179   0.396  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -2.404   1.019  -0.716  0.00  0.00    +0.150 A 
ATOM      6  C   LIG    1       -3.500   1.052  -1.597  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -4.622   0.230  -1.395  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -4.591  -0.639  -0.287  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.501  -0.674   0.588  0.00  0.00    +0.048 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -5.841   0.241  -2.335  0.00  0.00    -0.013 C 
ATOM     11  C   LIG    1       -7.113   0.594  -1.533  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -5.733   1.264  -3.489  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -6.014  -1.153  -2.974  0.00  0.00    +0.015 C 
ENDBRANCH   7  10
BRANCH   4  14
ATOM     14  O   LIG    1       -1.349   0.072   1.247  0.00  0.00    -0.487 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -0.084   1.389   2.792  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1       -1.488   0.929   2.404  0.00  0.00    +0.167 C 
ATOM     17  C   LIG    1       -2.104   0.153   3.567  0.00  0.00    +0.051 C 
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  N   LIG    1        0.284   1.008  -0.796  0.00  0.00    -0.179 N 
ATOM     19  H   LIG    1        0.046   0.205  -0.224  0.00  0.00    +0.177 HD
ATOM     20  C   LIG    1        1.615   1.437  -0.892  0.00  0.00    +0.298 C 
ATOM     21  O   LIG    1        1.929   2.509  -1.388  0.00  0.00    -0.265 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.561   0.486  -0.337  0.00  0.00    +0.192 A 
ATOM     23  O   LIG    1        3.888   0.842  -0.324  0.00  0.00    -0.450 OA
ATOM     24  C   LIG    1        4.588  -0.178   0.238  0.00  0.00    +0.139 A 
ATOM     25  C   LIG    1        3.732  -1.206   0.596  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1        4.293  -2.338   1.196  0.00  0.00    +0.134 A 
ATOM     27  C   LIG    1        5.675  -2.401   1.409  0.00  0.00    +0.043 A 
ATOM     28  C   LIG    1        6.532  -1.352   1.030  0.00  0.00    -0.038 A 
ATOM     29  F   LIG    1        3.519  -3.365   1.573  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.968  -0.205   0.435  0.00  0.00    +0.051 A 
ATOM     31  C   LIG    1        2.430  -0.777   0.223  0.00  0.00    +0.066 A 
BRANCH  28  32
ATOM     32  C   LIG    1        8.019  -1.436   1.283  0.00  0.00    +0.019 C 
ATOM     33  C   LIG    1        8.993  -1.248   0.142  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        8.814  -2.606   0.749  0.00  0.00    +0.009 C 
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 7