REMARK  Name = BDB029807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.105   2.750  -1.665  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.871   3.672  -2.039  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        2.205   2.090  -2.162  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.942   2.598  -3.003  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.536   0.754  -1.637  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.588  -0.265  -1.605  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.345  -0.057  -2.068  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        1.938  -1.517  -1.107  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        0.773  -2.784  -1.044  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        3.239  -1.759  -0.662  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.213  -0.752  -0.728  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.852   0.508  -1.222  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        5.565  -1.045  -0.281  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        5.873  -2.134   0.504  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        7.173  -2.078   0.690  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        7.717  -1.002   0.052  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        9.115  -0.655   0.037  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        6.706  -0.328  -0.574  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.346   2.299  -0.450  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.827   2.423   0.449  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.240   2.924  -0.314  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -1.416   3.225   1.088  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.381   3.942  -1.334  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.220   1.489  -0.762  0.00  0.00    +0.191 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -5.509   0.015   1.627  0.00  0.00    +0.241 C 
ATOM     26  N   LIG    1       -4.302  -0.158   0.971  0.00  0.00    -0.299 N 
ATOM     27  C   LIG    1       -3.096   0.522   1.415  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -2.106   0.351   0.258  0.00  0.00    +0.030 C 
ATOM     29  C   LIG    1       -2.543  -0.992  -0.340  0.00  0.00    +0.025 C 
ATOM     30  C   LIG    1       -4.056  -0.989  -0.194  0.00  0.00    +0.108 C 
ATOM     31  O   LIG    1       -5.600   0.736   2.621  0.00  0.00    -0.273 OA
BRANCH  25  32
ATOM     32  C   LIG    1       -6.715  -0.753   1.042  0.00  0.00    +0.255 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -8.187  -0.970   2.884  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1       -8.007  -0.484   1.561  0.00  0.00    -0.374 OA
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8