REMARK  Name = BDB030038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.784  -2.370  -2.171  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -1.100  -2.339  -3.143  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.454  -1.605  -1.228  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -0.954  -1.274  -0.155  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.838  -1.164  -1.561  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.451  -1.456  -2.778  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.794  -2.158  -3.717  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.750  -1.020  -3.035  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -5.509  -1.383  -4.538  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.448  -0.286  -2.076  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.853   0.023  -0.845  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.546  -0.422  -0.598  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.608   0.790   0.135  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -6.899   1.217  -0.086  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.249   1.868   1.000  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -6.239   1.881   1.915  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -6.287   2.509   3.210  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -5.181   1.198   1.382  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.704  -2.517  -1.992  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.093  -3.462  -2.044  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.682  -1.359  -2.747  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        0.836  -0.615  -3.660  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.847  -2.070  -3.226  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.133  -0.293  -1.377  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1        5.105  -0.122   1.674  0.00  0.00    +0.053 C 
ATOM     26  C   LIG    1        5.231  -0.075   0.138  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        4.392  -1.158  -0.536  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        2.884  -1.003  -0.241  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        2.636  -0.253   1.085  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        3.705  -0.590   2.118  0.00  0.00    +0.019 C 
BRANCH  25  32
ATOM     31  C   LIG    1        6.783   1.587   2.144  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1        5.390   1.186   2.279  0.00  0.00    -0.316 NA
ATOM     33  H   LIG    1        4.787   1.900   1.871  0.00  0.00    +0.122 HD
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7