REMARK  Name = BDB014294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.880   0.651   2.688  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -1.180   1.460   1.791  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -0.352   2.479   2.247  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        0.230   3.100   1.117  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.241   2.453  -0.011  0.00  0.00    +0.023 A 
ATOM      6  N   LIG    1       -0.177   2.760   3.560  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -0.867   1.972   4.410  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.114   1.478   0.418  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -1.614   0.825  -0.174  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -1.706   0.932   4.044  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -3.390  -1.175   3.035  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -2.763  -0.457   2.280  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.823  -0.626   0.945  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -3.429  -1.392   0.846  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        0.063   2.673  -1.460  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.315   1.384  -2.212  0.00  0.00    -0.038 A 
ATOM     17  C   LIG    1        1.414   0.575  -1.878  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        1.618  -0.650  -2.519  0.00  0.00    +0.139 A 
ATOM     19  C   LIG    1        0.759  -1.040  -3.553  0.00  0.00    +0.083 A 
ATOM     20 CL   LIG    1        0.986  -2.526  -4.402  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1       -0.325  -0.234  -3.905  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -0.552   0.969  -3.232  0.00  0.00    +0.005 A 
BRANCH  18  23
ATOM     23  O   LIG    1        2.681  -1.453  -2.195  0.00  0.00    -0.490 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.708  -1.862  -0.819  0.00  0.00    +0.232 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.659  -2.898  -0.546  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1        0.315  -2.516   0.022  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1        1.304  -3.261   0.874  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 7