REMARK  Name = BDB023027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.448   1.210  -1.010  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.941   0.193  -2.043  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.407   0.782  -2.400  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.906   1.289  -1.049  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.284   1.772  -0.354  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.587   0.213  -0.150  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -2.641   0.869   0.756  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -4.034   0.737   0.566  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -4.919   1.385   1.447  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -4.436   2.153   2.503  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -3.068   2.292   2.700  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -5.537   2.934   3.570  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.608  -0.088  -0.558  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -4.283  -1.574  -0.412  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -2.794  -1.859  -0.260  0.00  0.00    +0.161 C 
ATOM     16  C   LIG    1       -2.180   1.655   1.833  0.00  0.00    +0.008 A 
ATOM     17  O   LIG    1       -2.049  -0.874  -0.966  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1        6.096  -1.636   1.944  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.321  -1.132   0.767  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        4.104  -0.441   0.866  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        3.255  -0.011   1.920  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        2.183   0.644   1.353  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        2.338   0.618  -0.013  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1        3.510  -0.035  -0.323  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        3.983  -0.244  -1.567  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        5.156  -0.905  -1.544  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1        5.836  -1.354  -0.472  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1        1.756   0.091  -3.215  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        2.659  -0.129  -2.896  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1       -0.201   1.891  -3.297  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1        0.433   1.556  -3.965  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4