REMARK  Name = BDB022230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.278  -1.453   0.303  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.199  -1.340   0.140  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.020  -2.460   0.381  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.406  -2.345   0.191  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.984  -1.135  -0.202  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.200  -0.005  -0.414  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.437  -3.678   0.842  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -1.274  -4.838   1.107  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1        0.917  -3.780   1.105  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        1.470  -4.781   1.557  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.814  -0.122  -0.227  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        1.754  -2.604   0.795  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        2.066  -0.368  -0.062  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        1.662   0.220  -0.788  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.534  -0.271  -0.063  0.00  0.00    +0.155 C 
ATOM     16  C   LIG    1        4.094  -1.002  -1.287  0.00  0.00    +0.038 C 
BRANCH  15  20
ATOM     17  C   LIG    1        6.320   3.505   1.181  0.00  0.00    +0.111 C 
ATOM     18  C   LIG    1        5.245   2.797   0.466  0.00  0.00    +0.214 A 
ATOM     19  O   LIG    1        5.085   1.464   0.738  0.00  0.00    -0.423 OA
ATOM     20  C   LIG    1        4.027   1.147  -0.074  0.00  0.00    +0.237 A 
ATOM     21  N   LIG    1        3.592   2.176  -0.774  0.00  0.00    -0.110 NA
ATOM     22  N   LIG    1        4.386   3.247  -0.422  0.00  0.00    -0.113 NA
ENDBRANCH  15  20
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1       -2.739   1.252  -0.746  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1       -2.091   1.839  -1.268  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.014   1.816  -0.509  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1       -4.583   2.741  -1.403  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1       -5.857   3.219  -1.128  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1       -6.677   4.354  -2.134  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1       -6.596   2.854  -0.056  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1       -6.037   1.967   0.787  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1       -4.776   1.427   0.601  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -3.876   3.173  -2.567  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -3.256   3.504  -3.490  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6