REMARK  Name = BDB034722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.551  -4.363  -0.453  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.475  -2.991  -0.043  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.336  -2.182  -0.128  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.676  -0.908   0.328  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.239   0.127   0.345  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.544  -0.134  -0.110  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.873  -1.437  -0.557  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -2.025  -0.937   0.712  0.00  0.00    -0.290 N 
ATOM      9  C   LIG    1        0.932  -2.475  -0.576  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.547  -2.225   0.456  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.704  -2.581   0.616  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.494   0.907  -0.056  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.078   1.833  -0.136  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.903   0.883   0.067  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        4.704   1.879  -0.521  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.083   1.767  -0.398  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.186   2.911  -1.066  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.713   0.760   0.249  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        5.931  -0.184   0.802  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.548  -0.168   0.733  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.120   2.971  -1.232  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.593   3.843  -1.788  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -2.800   0.187   1.180  0.00  0.00    +0.149 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.570   0.841   0.049  0.00  0.00    +0.187 C 
BRANCH  24  25
ATOM     25  S   LIG    1       -4.275   2.374   0.603  0.00  0.00    -0.032 S 
ATOM     26  O   LIG    1       -5.207   2.087   1.675  0.00  0.00    -0.175 OA
ATOM     27  O   LIG    1       -3.185   3.312   0.796  0.00  0.00    -0.175 OA
ATOM     28  C   LIG    1       -5.214   2.915  -0.804  0.00  0.00    +0.194 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6