REMARK  Name = BDB030053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.204  -0.527   1.851  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        1.522  -1.094   2.641  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1        1.948  -0.457   0.688  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        1.457  -0.084  -0.376  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.378  -0.858   0.753  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.990  -1.285   1.931  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        3.286  -1.359   3.072  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1        5.337  -1.641   1.934  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1        6.096  -2.164   3.389  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        6.086  -1.575   0.759  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        5.494  -1.152  -0.440  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.137  -0.795  -0.430  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.300  -1.095  -1.649  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1        7.651  -1.368  -1.660  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        8.034  -1.220  -2.908  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1        6.988  -0.864  -3.706  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1        7.044  -0.620  -5.124  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1        5.871  -0.779  -2.921  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.317  -0.457   1.683  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -0.562  -0.171   0.717  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -1.112  -1.916   2.057  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -0.316  -2.574   3.075  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.416  -2.575   0.807  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.630  -1.344   2.812  0.00  0.00    +0.190 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -4.476   1.512   2.009  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1       -2.978   1.149   2.062  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1       -3.376  -0.349   1.944  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -4.771   0.068   2.482  0.00  0.00    +0.027 C 
BRANCH  25  33
ATOM     29  C   LIG    1       -5.344   1.994  -2.907  0.00  0.00    +0.133 C 
ATOM     30  N   LIG    1       -5.440   2.236  -1.488  0.00  0.00    -0.287 N 
ATOM     31  C   LIG    1       -4.524   1.700  -0.573  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -3.457   1.184  -0.861  0.00  0.00    -0.252 OA
ATOM     33  N   LIG    1       -5.079   1.849   0.710  0.00  0.00    -0.281 N 
ATOM     34  C   LIG    1       -6.333   2.564   0.627  0.00  0.00    +0.128 C 
ATOM     35  C   LIG    1       -6.704   2.486  -0.843  0.00  0.00    +0.128 C 
ENDBRANCH  25  33
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7