REMARK  Name = BDB046418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.642   0.041   0.711  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.320   0.724  -0.474  0.00  0.00    +0.144 A 
ATOM      3  C   LIG    1        1.287   0.872  -1.483  0.00  0.00    +0.084 A 
ATOM      4 CL   LIG    1        0.995   1.840  -2.885  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        2.541   0.269  -1.363  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.853  -0.466  -0.216  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1        1.908  -0.567   0.815  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        4.171  -1.132  -0.028  0.00  0.00    +0.339 C 
ATOM      9  O   LIG    1        4.470  -1.758   0.976  0.00  0.00    -0.245 OA
BRANCH   8  10
ATOM     10  O   LIG    1        4.960  -0.945  -1.114  0.00  0.00    -0.464 OA
ATOM     11  C   LIG    1        6.247  -1.558  -1.009  0.00  0.00    +0.280 C 
ENDBRANCH   8  10
ENDBRANCH   6   8
BRANCH   1  12
ATOM     12  C   LIG    1       -0.299  -0.044   1.893  0.00  0.00    +0.038 C 
BRANCH  12  14
ATOM     13  C   LIG    1        0.011   2.324   2.780  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.124   0.834   3.075  0.00  0.00    +0.001 C 
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   2  15
ATOM     15  O   LIG    1       -0.917   1.319  -0.573  0.00  0.00    -0.471 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -1.787   0.647  -1.519  0.00  0.00    +0.311 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.728  -0.279  -0.769  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.772   0.224   0.026  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -4.605  -0.644   0.735  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.402  -2.020   0.666  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.366  -2.532  -0.112  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.532  -1.668  -0.824  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
BRANCH  16  23
ATOM     23  C   LIG    1       -2.543   1.724  -2.319  0.00  0.00    +0.351 C 
ATOM     24  O   LIG    1       -3.365   1.498  -3.196  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -2.212   2.993  -1.956  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1       -1.530   2.973  -1.250  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  16  23
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 9