REMARK  Name = BDB014564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.147  -0.268  -0.225  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.742  -0.083  -1.537  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.317   0.510  -2.123  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.703  -1.163   0.486  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        2.166   0.778   0.251  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.776   0.490   1.506  0.00  0.00    -0.482 OA
BRANCH   6  16
ATOM      7  C   LIG    1        4.845   3.025   1.269  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1        5.642   1.785   1.107  0.00  0.00    +0.071 A 
ATOM      9  C   LIG    1        5.184   0.440   1.152  0.00  0.00    +0.064 A 
ATOM     10  C   LIG    1        6.331  -0.333   0.977  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1        6.301  -1.736   0.979  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        5.066  -2.359   1.185  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        3.903  -1.611   1.362  0.00  0.00    +0.046 A 
ATOM     14  N   LIG    1        7.353   0.572   0.833  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        8.750   0.272   0.628  0.00  0.00    +0.173 C 
ATOM     16  C   LIG    1        3.946  -0.213   1.320  0.00  0.00    +0.132 A 
ATOM     17  N   LIG    1        6.959   1.859   0.881  0.00  0.00    -0.175 NA
ENDBRANCH   6  16
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -0.083  -1.063  -2.227  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.464  -1.345  -1.614  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.206  -2.168  -2.532  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -3.141  -2.049  -2.260  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.277  -0.057  -1.358  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.683  -0.365  -0.996  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.508   0.855  -1.140  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.929   0.692  -0.644  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.262  -0.322   0.271  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.578  -0.434   0.740  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.553   0.472   0.324  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.223   1.491  -0.567  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.219  -1.323   0.694  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.917   1.603  -1.047  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.789  -0.851   0.394  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8