REMARK  Name = BDB029858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.717  -1.719  -0.764  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.560  -1.109  -1.572  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.705  -1.434   0.161  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -1.696  -1.932   1.286  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.786  -0.495  -0.240  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -2.822   0.122  -1.489  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -1.852  -0.112  -2.389  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -3.861   0.993  -1.813  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -3.907   1.756  -3.357  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -4.873   1.254  -0.891  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.859   0.648   0.374  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.808  -0.227   0.688  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.928   0.944   1.315  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -6.985   1.772   1.006  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.738   1.805   2.082  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -7.212   1.034   3.076  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -7.779   0.852   4.387  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -6.056   0.475   2.606  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.544  -2.391  -0.205  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.376  -2.688   0.771  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.929  -1.383  -0.251  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.764  -0.508  -1.393  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.095  -0.867   1.089  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.186  -2.605  -0.582  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1        6.027  -0.484  -1.028  0.00  0.00    +0.074 C 
ATOM     26  C   LIG    1        4.926  -1.090  -1.934  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1        4.592  -2.050  -0.760  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        5.192  -0.969   0.183  0.00  0.00    +0.027 C 
BRANCH  25  31
ATOM     29  C   LIG    1        6.895   3.074  -2.090  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        6.937   1.570  -2.099  0.00  0.00    +0.210 C 
ATOM     31  N   LIG    1        6.155   0.978  -1.131  0.00  0.00    -0.313 N 
ATOM     32  H   LIG    1        5.580   1.581  -0.555  0.00  0.00    +0.149 HD
ATOM     33  O   LIG    1        7.598   0.940  -2.918  0.00  0.00    -0.276 OA
ENDBRANCH  25  31
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7