REMARK  Name = BDB008388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.841  -1.857   0.394  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.161  -2.483  -0.390  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        0.052  -3.837  -0.712  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -1.044  -4.571  -0.257  0.00  0.00    +0.043 A 
ATOM      5 CL   LIG    1       -1.178  -6.242  -0.651  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -2.035  -3.969   0.514  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -1.935  -2.616   0.837  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -1.995   2.020   1.659  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1       -1.542   1.794   0.202  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -1.606   0.322  -0.199  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1       -0.725  -0.472   0.675  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1       -0.740  -0.134   2.110  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1       -1.950   0.718   2.482  0.00  0.00    +0.023 C 
BRANCH   8  14
ATOM     14  C   LIG    1       -3.367   2.710   1.762  0.00  0.00    +0.081 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -4.454   1.935   1.174  0.00  0.00    -0.330 NA
ATOM     16  H   LIG    1       -5.338   2.414   1.346  0.00  0.00    +0.118 HD
ATOM     17  H   LIG    1       -4.351   1.902   0.161  0.00  0.00    +0.118 HD
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   1  11
BRANCH   2  18
ATOM     18  N   LIG    1        1.238  -1.662  -0.787  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        1.176  -0.708  -0.422  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        2.322  -1.980  -1.571  0.00  0.00    +0.253 C 
ATOM     21  O   LIG    1        2.527  -3.068  -2.099  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.269  -0.893  -1.761  0.00  0.00    +0.101 A 
ATOM     23  C   LIG    1        3.248   0.389  -1.242  0.00  0.00    +0.168 A 
ATOM     24  N   LIG    1        4.399   1.026  -1.726  0.00  0.00    -0.221 N 
ATOM     25  C   LIG    1        4.681   2.341  -1.371  0.00  0.00    +0.116 A 
ATOM     26  C   LIG    1        3.857   3.017  -0.560  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        2.662   2.257  -0.101  0.00  0.00    +0.114 A 
ATOM     28  N   LIG    1        5.128   0.215  -2.526  0.00  0.00    -0.173 NA
ATOM     29  N   LIG    1        2.362   1.031  -0.413  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1        4.447  -0.931  -2.537  0.00  0.00    +0.150 A 
ENDBRANCH  20  22
ENDBRANCH   2  18
TORSDOF 5