REMARK  Name = BDB030051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.819   1.091  -0.822  0.00  0.00    -0.112 NA
ATOM      2  H   LIG    1        1.832   2.029  -0.409  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1        2.018   0.967  -2.298  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.288   1.325  -2.910  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1        2.812  -0.017  -2.859  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1        2.694  -0.301  -4.047  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1        3.824  -0.689  -2.023  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        3.940  -2.074  -2.082  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        3.123  -2.794  -2.869  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        4.896  -2.719  -1.302  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        5.054  -4.435  -1.351  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        5.746  -1.984  -0.469  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        5.650  -0.587  -0.412  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        4.686   0.054  -1.205  0.00  0.00    +0.026 A 
BRANCH  13  15
ATOM     15  C   LIG    1        6.516   0.217   0.436  0.00  0.00    +0.089 A 
ATOM     16  N   LIG    1        6.506   1.596   0.422  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        7.401   1.966   1.309  0.00  0.00    +0.199 A 
ATOM     18  N   LIG    1        7.989   0.887   1.898  0.00  0.00    -0.339 N 
ATOM     19  C   LIG    1        9.005   0.938   2.917  0.00  0.00    +0.150 C 
ATOM     20  C   LIG    1        7.439  -0.240   1.354  0.00  0.00    +0.115 A 
ENDBRANCH  13  15
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  21
ATOM     21  S   LIG    1        0.787   0.020  -0.001  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.304  -1.319  -0.181  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        0.610   0.598   1.313  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -0.735   0.191  -0.933  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -4.730  -1.316   0.232  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1       -3.654  -1.131   1.306  0.00  0.00    +0.023 C 
ATOM     27  C   LIG    1       -2.465  -0.279   0.874  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -1.852  -0.750  -0.452  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -2.916  -0.861  -1.555  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -4.144  -1.665  -1.141  0.00  0.00    +0.023 C 
BRANCH  25  35
ATOM     31  C   LIG    1       -6.956   3.144  -0.262  0.00  0.00    +0.133 C 
ATOM     32  N   LIG    1       -6.680   1.807   0.201  0.00  0.00    -0.287 N 
ATOM     33  C   LIG    1       -5.520   1.105  -0.146  0.00  0.00    +0.305 C 
ATOM     34  O   LIG    1       -4.535   1.601  -0.665  0.00  0.00    -0.252 OA
ATOM     35  N   LIG    1       -5.721  -0.236   0.206  0.00  0.00    -0.281 N 
ATOM     36  C   LIG    1       -6.973  -0.371   0.927  0.00  0.00    +0.128 C 
ATOM     37  C   LIG    1       -7.732   0.896   0.575  0.00  0.00    +0.128 C 
ENDBRANCH  25  35
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 7