REMARK  Name = BDB048352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.789   0.453  -2.462  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        2.234   0.286  -2.718  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.922   1.467  -3.242  0.00  0.00    +0.130 C 
BRANCH   2   6
ATOM      4  C   LIG    1        1.906  -2.636  -2.323  0.00  0.00    +0.049 C 
ATOM      5  C   LIG    1        2.791  -1.750  -1.508  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.952  -0.385  -1.718  0.00  0.00    +0.128 A 
ATOM      7  N   LIG    1        3.811   0.336  -0.968  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        4.481  -0.284   0.020  0.00  0.00    +0.162 A 
ATOM      9  N   LIG    1        4.354  -1.585   0.320  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.511  -2.285  -0.456  0.00  0.00    +0.120 A 
BRANCH   8  11
ATOM     11  C   LIG    1        5.402   0.530   0.839  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        5.578   1.906   0.596  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        6.447   2.673   1.373  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1        6.631   4.352   1.044  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        7.166   2.092   2.414  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        7.014   0.734   2.677  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        6.142  -0.034   1.899  0.00  0.00    +0.011 A 
ENDBRANCH   8  11
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.440   1.368  -1.281  0.00  0.00    +0.060 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.333   0.649   0.065  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.540  -0.479   0.002  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.885  -0.296   0.168  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -2.636  -1.472   0.071  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -4.012  -1.409   0.225  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -4.996  -2.532   0.119  0.00  0.00    +0.036 C 
ATOM     25  C   LIG    1       -6.224  -1.915   0.804  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -6.145  -0.395   0.542  0.00  0.00    +0.030 C 
ATOM     27  C   LIG    1       -4.656  -0.192   0.466  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -3.927   0.982   0.547  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -2.534   0.924   0.405  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -6.919   0.467   1.534  0.00  0.00    +0.128 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.419   0.390   2.951  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -6.623  -0.514   3.744  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -5.695   1.467   3.311  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -5.414   1.264   4.229  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