REMARK  Name = BDB006955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.872  -0.189  -1.573  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.180   0.175  -0.745  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.522  -0.220  -0.894  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        2.305   0.322   0.122  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        3.672   0.066   0.180  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        4.280  -0.745  -0.800  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        3.466  -1.298  -1.812  0.00  0.00    +0.055 A 
ATOM      8 CL   LIG    1        4.077  -2.378  -3.022  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.487   1.180   1.058  0.00  0.00    +0.008 C 
ATOM     10  C   LIG    1        1.908   2.651   0.962  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.578   0.691   2.507  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        2.088  -1.030  -1.863  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        0.059   0.976   0.490  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1       -0.759  -0.904  -2.572  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   6  15
ATOM     15  C   LIG    1        5.718  -0.962  -0.685  0.00  0.00    +0.260 A 
ATOM     16  O   LIG    1        6.441  -1.081  -1.839  0.00  0.00    -0.333 OA
ATOM     17  N   LIG    1        7.780  -1.215  -1.463  0.00  0.00    -0.061 NA
ATOM     18  C   LIG    1        7.727  -1.146  -0.128  0.00  0.00    +0.169 A 
ATOM     19  C   LIG    1        8.933  -1.240   0.715  0.00  0.00    +0.091 C 
ATOM     20  N   LIG    1        6.473  -0.967   0.395  0.00  0.00    -0.192 NA
ENDBRANCH   6  15
BRANCH   1  21
ATOM     21  C   LIG    1       -2.261   0.360  -1.204  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -4.081   0.290   0.519  0.00  0.00    +0.097 C 
ATOM     23  N   LIG    1       -2.807  -0.301  -0.002  0.00  0.00    -0.286 NA
ATOM     24  C   LIG    1       -3.003  -1.754  -0.204  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -4.122  -2.104  -1.227  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -4.636  -3.526  -1.003  0.00  0.00    +0.025 C 
ATOM     27  N   LIG    1       -5.263  -1.159  -1.229  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -5.074  -0.452  -1.939  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -5.369  -0.478   0.071  0.00  0.00    +0.102 C 
BRANCH  22  30
ATOM     30  C   LIG    1       -4.281   1.815   0.315  0.00  0.00    +0.179 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -3.364   3.947   0.746  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -3.200   2.545   0.908  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5