REMARK  Name = BDB027583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.840  -0.635  -0.977  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.845  -0.620  -0.030  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        3.239  -0.791  -0.429  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.067  -0.210   0.730  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        3.134  -0.430   1.927  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.754  -0.165   1.348  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.032  -0.808  -2.176  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.211   0.043   0.239  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.574   0.891  -0.690  0.00  0.00    +0.063 A 
ATOM     10 CL   LIG    1       -3.414   2.240  -1.381  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -1.252   0.672  -1.080  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -0.548  -0.399  -0.532  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -1.171  -1.270   0.364  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.496  -1.044   0.754  0.00  0.00    +0.025 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -5.332  -0.322   1.523  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1       -4.553   0.322   0.592  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1       -4.952   1.129   0.127  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -4.991  -1.215   2.288  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -7.445   0.662   0.592  0.00  0.00    -0.007 C 
ATOM     20  C   LIG    1       -6.719   0.208   1.627  0.00  0.00    +0.064 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -8.860   1.153   0.728  0.00  0.00    +0.111 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -9.982  -0.992   0.449  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1       -9.871   0.391  -0.007  0.00  0.00    -0.305 NA
ATOM     24  C   LIG    1       -9.721   0.465  -1.456  0.00  0.00    +0.104 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  15  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   4  25
ATOM     25  N   LIG    1        5.330  -0.894   0.959  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1        5.722  -0.797   1.890  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        6.359  -0.537   0.100  0.00  0.00    +0.216 A 
ATOM     28  N   LIG    1        7.583  -0.538   0.643  0.00  0.00    -0.215 NA
ATOM     29  C   LIG    1        8.621  -0.214  -0.142  0.00  0.00    +0.076 A 
ATOM     30  C   LIG    1        8.463   0.128  -1.486  0.00  0.00    +0.019 A 
ATOM     31  C   LIG    1        9.570   0.465  -2.291  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       10.850   0.459  -1.745  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       11.022   0.120  -0.407  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        7.157   0.108  -1.941  0.00  0.00    +0.124 A 
ATOM     35  C   LIG    1        9.911  -0.212   0.378  0.00  0.00    +0.028 A 
ATOM     36  N   LIG    1        6.101  -0.212  -1.171  0.00  0.00    -0.222 NA
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 7