REMARK  Name = BDB030109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.862   0.380   0.993  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.910   1.244   1.540  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.986  -0.097   0.342  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.898  -0.889  -0.595  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.315   0.388   0.800  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.465   1.299   1.845  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        2.385   1.786   2.479  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        4.736   1.714   2.237  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        4.923   2.838   3.530  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        5.868   1.225   1.588  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.744   0.311   0.532  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.460  -0.102   0.147  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.944  -0.180  -0.127  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        8.214   0.158   0.288  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        9.033  -0.458  -0.534  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        8.346  -1.181  -1.464  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        8.933  -1.974  -2.514  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        7.011  -1.017  -1.222  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.473   0.151   0.262  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -0.333  -0.519  -0.512  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.146   1.583  -0.400  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -0.606   2.700   0.350  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -1.012   1.491  -1.837  0.00  0.00    -0.152 OA
BRANCH  21  26
ATOM     24  C   LIG    1       -5.087   0.674  -0.559  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -3.735   0.812  -0.884  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -2.850   1.386   0.033  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1       -3.304   1.844   1.271  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1       -4.652   1.704   1.595  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.540   1.118   0.685  0.00  0.00    +0.046 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -5.842   0.086  -1.534  0.00  0.00    -0.490 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -7.251  -0.026  -1.337  0.00  0.00    +0.257 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -7.608  -1.316  -0.604  0.00  0.00    +0.200 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -9.412  -2.574   0.242  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1       -9.021  -1.372  -0.410  0.00  0.00    -0.380 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  21  26
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 9