REMARK  Name = BDB019095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.394  -0.189  -0.630  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1       -1.834  -0.887   0.452  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1       -0.475  -0.982   0.660  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.336  -1.728   1.809  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.563  -2.103   2.298  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.368  -0.356  -0.295  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.250   0.271  -1.322  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -2.437  -1.611   1.446  0.00  0.00    +0.206 A 
ATOM      9  N   LIG    1       -1.615   0.367  -1.520  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        1.839  -0.333  -0.234  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        2.507   0.239   0.840  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1        3.856   0.288   0.967  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        4.622  -0.245  -0.011  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        4.022  -0.857  -1.113  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        2.630  -0.899  -1.229  0.00  0.00    +0.013 A 
BRANCH  13  16
ATOM     16  N   LIG    1        6.003  -0.213   0.128  0.00  0.00    -0.313 N 
ATOM     17  C   LIG    1        6.845   0.023  -1.056  0.00  0.00    +0.121 C 
ATOM     18  C   LIG    1        7.915   1.108  -0.787  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1        8.788   0.853   0.372  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1        9.137   1.747   0.716  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        8.056   0.163   1.454  0.00  0.00    +0.100 C 
ATOM     22  C   LIG    1        6.518   0.299   1.406  0.00  0.00    +0.121 C 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  23
ATOM     23  N   LIG    1       -3.761  -0.097  -0.776  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.941   0.213  -1.731  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.501   0.782   0.125  0.00  0.00    +0.140 C 
BRANCH  25  32
ATOM     26  C   LIG    1       -7.645   1.908  -1.744  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -8.640   1.058  -1.259  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -8.245   0.118  -0.312  0.00  0.00    +0.135 A 
ATOM     29  C   LIG    1       -6.947  -0.017   0.169  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1       -7.002  -1.093   1.100  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1       -8.306  -1.528   1.123  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1       -5.942   0.852  -0.316  0.00  0.00    -0.020 A 
ATOM     33  O   LIG    1       -9.068  -0.798   0.270  0.00  0.00    -0.463 OA
ATOM     34  C   LIG    1       -6.328   1.807  -1.288  0.00  0.00    +0.006 A 
ENDBRANCH  25  32
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 5