REMARK  Name = BDB015725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.412  -1.634  -0.437  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -2.068  -0.567  -0.929  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.394   0.588  -0.938  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.119   0.753  -0.546  0.00  0.00    -0.180 NA
ATOM      5  C   LIG    1        0.516  -0.322  -0.067  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -0.110  -1.550   0.019  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -5.682  -3.888   0.209  0.00  0.00    +0.152 C 
ATOM      8  N   LIG    1       -4.263  -4.029  -0.074  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.731  -5.300  -0.265  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -4.361  -6.352  -0.207  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -2.276  -5.347  -0.565  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -1.556  -4.219  -0.623  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -2.163  -2.916  -0.391  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -3.487  -2.881  -0.141  0.00  0.00    +0.098 A 
ENDBRANCH   1  13
BRANCH   5  15
ATOM     15  N   LIG    1        1.826  -0.211   0.424  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        2.418  -0.940   0.038  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.432   1.106   0.262  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.858   1.050   0.759  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        4.124   0.935   2.132  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        5.439   0.872   2.597  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.500   0.921   1.695  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        6.248   1.029   0.328  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.934   1.091  -0.139  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   3  24
ATOM     24  O   LIG    1       -2.085   1.666  -1.479  0.00  0.00    -0.421 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.612   2.910  -1.147  0.00  0.00    +0.167 A 
ATOM     26  C   LIG    1       -1.651   3.384   0.168  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -2.143   2.616   1.151  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -1.194   4.659   0.476  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1       -0.712   5.463  -0.549  0.00  0.00    +0.126 A 
ATOM     30  F   LIG    1       -0.269   6.695  -0.266  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -0.689   5.017  -1.869  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -1.149   3.735  -2.174  0.00  0.00    +0.052 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6