REMARK  Name = BDB036187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.172  -0.410  -0.015  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.856  -1.846  -0.084  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.559  -2.149   0.700  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.642  -1.444   0.196  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.275  -0.157  -0.437  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.021   0.506   0.088  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.020   1.119  -0.534  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.072   1.920  -0.004  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.836   1.379   0.146  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.455   0.074  -0.198  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.484  -0.706  -0.738  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.773  -0.193  -0.914  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.795   1.391  -0.398  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.450   0.874  -0.409  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.261   0.044   0.138  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.385   1.717  -0.701  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.535   2.880  -1.058  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.625  -1.283   1.282  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.014  -0.935   0.776  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -3.715   0.229   1.146  0.00  0.00    +0.051 A 
ATOM     21 CL   LIG    1       -2.973   1.391   2.205  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -5.018   0.483   0.656  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.767   1.731   1.040  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1       -7.193   1.773   0.588  0.00  0.00    +0.181 C 
ATOM     25  C   LIG    1       -7.625   0.749  -0.430  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1       -6.883  -0.252  -0.783  0.00  0.00    -0.249 NA
ATOM     27  C   LIG    1       -8.988   0.927  -1.034  0.00  0.00    +0.069 C 
ATOM     28  O   LIG    1       -8.000   2.612   0.970  0.00  0.00    -0.290 OA
ATOM     29  C   LIG    1       -5.612  -0.429  -0.224  0.00  0.00    +0.069 A 
ATOM     30  C   LIG    1       -4.917  -1.581  -0.592  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -3.640  -1.837  -0.098  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4