REMARK  Name = BDB043935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.168  -1.137   0.566  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        1.667   0.158   0.755  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        0.357   0.371   1.193  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -0.467  -0.744   1.439  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        0.033  -2.037   1.247  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.345  -2.233   0.809  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.856  -0.600   1.889  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1       -2.901  -0.283   1.111  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -3.027  -0.008  -0.324  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.379   0.295  -0.535  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.888   0.616  -1.778  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1       -3.991   0.628  -2.845  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.632   0.322  -2.658  0.00  0.00    +0.021 A 
ATOM     14 CL   LIG    1       -4.558   1.021  -4.423  0.00  0.00    -0.083 Cl
ATOM     15  N   LIG    1       -5.094   0.217   0.657  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -6.082   0.384   0.770  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -2.141  -0.002  -1.386  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -4.273  -0.137   1.716  0.00  0.00    +0.249 C 
ATOM     19  O   LIG    1       -4.597  -0.299   2.876  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  O   LIG    1        3.462  -1.178   0.126  0.00  0.00    -0.489 OA
BRANCH  20  22
ATOM     21  C   LIG    1        3.941  -3.078  -1.295  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        4.145  -2.435   0.073  0.00  0.00    +0.167 C 
ATOM     23  C   LIG    1        5.627  -2.139   0.294  0.00  0.00    +0.051 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   3  24
ATOM     24  O   LIG    1       -0.218   1.596   1.403  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1        0.504   2.793   1.104  0.00  0.00    +0.167 C 
ATOM     26  C   LIG    1       -0.143   3.906   1.926  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        0.392   3.116  -0.384  0.00  0.00    +0.051 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 5