REMARK  Name = BDB046120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.831   0.329  -0.637  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.615  -0.211  -1.927  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1        0.671  -0.192  -2.495  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        1.744   0.346  -1.788  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        1.536   0.903  -0.529  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.259   0.886   0.044  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.876   1.362   1.987  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.547   0.762   1.157  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1       -2.131   0.290  -0.071  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -2.844  -0.149  -0.658  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.990   0.569   1.447  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -4.649  -0.662   1.331  0.00  0.00    +0.054 A 
ATOM     13 CL   LIG    1       -3.839  -2.122   0.885  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -6.015  -0.753   1.621  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1       -6.714   0.379   2.038  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1       -8.393   0.261   2.394  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -6.063   1.603   2.176  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -4.701   1.698   1.886  0.00  0.00    +0.016 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -1.745  -0.795  -2.700  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -2.914  -0.798  -2.352  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -1.367  -1.356  -3.862  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -2.198  -1.696  -4.256  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   2  19
BRANCH   4  23
ATOM     23  O   LIG    1        2.965   0.347  -2.423  0.00  0.00    -0.438 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.058   0.052  -1.636  0.00  0.00    +0.221 A 
ATOM     25  N   LIG    1        4.945   1.056  -1.454  0.00  0.00    -0.219 NA
ATOM     26  C   LIG    1        6.050   0.774  -0.721  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1        6.300  -0.478  -0.176  0.00  0.00    +0.144 A 
ATOM     28  C   LIG    1        5.379  -1.507  -0.390  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        4.236  -1.237  -1.142  0.00  0.00    +0.070 A 
BRANCH  27  30
ATOM     30  N   LIG    1        7.511  -0.704   0.598  0.00  0.00    +0.058 N 
ATOM     31  O   LIG    1        7.699  -1.841   1.050  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1        8.281   0.254   0.758  0.00  0.00    -0.126 OA
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7