REMARK  Name = BDB022246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.394  -4.548  -0.050  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.077  -3.195   0.198  0.00  0.00    -0.311 N 
ATOM      3  C   LIG    1        0.768  -2.078  -0.068  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.303  -0.776   0.187  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        1.179   0.311  -0.028  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.479   0.143  -0.524  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.910  -1.154  -0.789  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.079  -0.559   0.698  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.814  -1.650   0.954  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        2.069  -2.250  -0.566  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -1.346  -3.033   0.729  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -2.107  -3.958   1.007  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        3.295   1.278  -0.673  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        2.779   2.099  -0.987  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        4.696   1.433  -0.769  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        5.251   2.471  -1.540  0.00  0.00    +0.099 A 
ATOM     17 CL   LIG    1        4.207   3.586  -2.360  0.00  0.00    -0.078 Cl
ATOM     18  C   LIG    1        6.638   2.563  -1.617  0.00  0.00    +0.149 A 
ATOM     19 CL   LIG    1        7.454   3.776  -2.528  0.00  0.00    -0.060 Cl
ATOM     20  N   LIG    1        7.494   1.721  -0.993  0.00  0.00    -0.242 NA
ATOM     21  C   LIG    1        6.941   0.744  -0.250  0.00  0.00    +0.114 A 
ATOM     22  C   LIG    1        5.573   0.563  -0.113  0.00  0.00    +0.044 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  N   LIG    1       -1.495   0.770   0.833  0.00  0.00    -0.331 N 
ATOM     24  H   LIG    1       -1.366   1.230  -0.072  0.00  0.00    +0.147 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.763   1.280   1.426  0.00  0.00    +0.086 C 
ATOM     26  C   LIG    1       -2.680   2.823   1.383  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1       -2.854   0.872   2.908  0.00  0.00    +0.039 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -3.991   0.869   0.593  0.00  0.00    +0.151 A 
ATOM     29  N   LIG    1       -3.906   1.017  -0.752  0.00  0.00    -0.238 NA
ATOM     30  C   LIG    1       -4.977   0.632  -1.472  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1       -6.123   0.122  -0.913  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -6.122   0.025   0.457  0.00  0.00    +0.114 A 
ATOM     33  N   LIG    1       -5.082   0.392   1.229  0.00  0.00    -0.238 NA
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH   8  23
TORSDOF 5