REMARK  Name = BDB048358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.268  -1.354  -0.782  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.648  -1.778  -1.094  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.143  -1.373  -2.410  0.00  0.00    +0.130 C 
BRANCH   2   6
ATOM      4  C   LIG    1       -2.748  -3.572   1.238  0.00  0.00    +0.049 C 
ATOM      5  C   LIG    1       -3.605  -2.360   1.060  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -3.565  -1.531  -0.056  0.00  0.00    +0.128 A 
ATOM      7  N   LIG    1       -4.401  -0.480  -0.175  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1       -5.250  -0.220   0.836  0.00  0.00    +0.162 A 
ATOM      9  N   LIG    1       -5.327  -0.941   1.966  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -4.502  -1.998   2.046  0.00  0.00    +0.120 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -6.148   0.947   0.696  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -6.115   1.767  -0.450  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -6.963   2.873  -0.586  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -7.863   3.181   0.428  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -8.905   4.540   0.266  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -7.923   2.394   1.573  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -7.073   1.289   1.703  0.00  0.00    +0.013 A 
ENDBRANCH   8  11
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.090   0.167  -0.706  0.00  0.00    +0.060 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.314   0.546  -0.242  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.262   0.033  -1.176  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.587   0.229  -0.890  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.091   0.968   0.182  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.468   1.073   0.325  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        5.222   1.778   1.407  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1        6.613   1.893   0.768  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        6.778   0.683  -0.181  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1        5.344   0.446  -0.569  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1        4.856  -0.291  -1.633  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.471  -0.392  -1.790  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  C   LIG    1        7.410  -0.516   0.525  0.00  0.00    +0.128 C 
BRANCH  30  31
ATOM     31  C   LIG    1        7.839  -1.575  -0.460  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1        7.246  -2.625  -0.645  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        8.967  -1.256  -1.135  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        9.361  -0.399  -0.883  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  26  30
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10