REMARK  Name = BDB013024
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.258  -0.760  -0.120  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.623   0.478  -0.248  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        0.741   0.622  -0.310  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        1.034   1.904  -0.410  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -0.151   2.608  -0.454  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.521  -0.568  -0.266  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        0.828  -1.727  -0.191  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -1.131   1.736  -0.377  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -0.546  -1.854  -0.108  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.001  -0.609  -0.351  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        3.673   0.156  -1.313  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.068   0.134  -1.399  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.828  -0.646  -0.518  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        5.158  -1.408   0.449  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.763  -1.386   0.535  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.340  -0.666  -0.609  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1        8.071   0.332   0.186  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1        7.893   0.170   1.624  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1        7.804   1.706  -0.226  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.630  -0.842  -0.028  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.888  -1.818  -0.183  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.284  -0.406   1.202  0.00  0.00    +0.140 C 
BRANCH  22  28
ATOM     23  C   LIG    1       -7.081   1.919  -2.307  0.00  0.00    +0.052 C 
ATOM     24  C   LIG    1       -6.860   1.489  -0.867  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1       -7.725   0.363  -0.573  0.00  0.00    -0.488 OA
ATOM     26  C   LIG    1       -6.979  -0.414   0.274  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.642  -0.050   0.343  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.746  -0.755   1.142  0.00  0.00    -0.024 A 
ATOM     29  C   LIG    1       -5.255  -1.844   1.872  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.611  -2.203   1.792  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -7.487  -1.484   0.980  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -5.406   1.078  -0.592  0.00  0.00    +0.083 C 
ENDBRANCH  22  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 6