REMARK  Name = BDB030165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.890   0.997  -0.619  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.915   1.619   0.194  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.822  -0.016  -0.768  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -1.614  -0.969  -1.517  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.083   0.079   0.013  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.331   1.111   0.917  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.415   2.072   1.119  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.532   1.152   1.625  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -4.841   2.429   2.740  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.501   0.165   1.439  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.275  -0.882   0.538  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.060  -0.913  -0.170  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.258  -1.931   0.312  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -6.102  -2.905  -0.649  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.167  -3.668  -0.560  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -8.008  -3.229   0.418  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -9.262  -3.837   0.781  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -7.446  -2.120   0.988  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.514   0.692  -1.155  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.503  -0.210  -1.660  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.712   0.641   0.060  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1        1.285   1.549   1.105  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.924  -0.766   0.320  0.00  0.00    -0.157 OA
BRANCH  21  25
ATOM     24  C   LIG    1        2.767   2.629  -1.518  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        3.169   1.334  -0.801  0.00  0.00    +0.149 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.349   1.561   0.202  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1        5.562   2.285  -0.425  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        6.292   1.415  -1.451  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        6.753   0.068  -0.874  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.609  -0.643  -0.135  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1        4.878   0.266   0.856  0.00  0.00    +0.007 C 
BRANCH  29  32
ATOM     32  N   LIG    1        7.899   0.245   0.020  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1        7.650   0.827   0.818  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1        8.646   0.737  -0.468  0.00  0.00    +0.118 HD
ENDBRANCH  29  32
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7