REMARK  Name = BDB012601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.477  -2.602  -0.761  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -2.097  -2.183  -0.732  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.601  -1.031  -0.158  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.231  -1.093  -0.400  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.081  -2.249  -1.097  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -1.057  -2.874  -1.278  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.435  -0.048   0.521  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.999   1.015  -0.199  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.808   1.949   0.450  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -4.048   1.817   1.813  0.00  0.00    +0.123 A 
ATOM     11  F   LIG    1       -4.825   2.714   2.435  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.494   0.771   2.542  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.684  -0.164   1.895  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        0.788  -0.120  -0.005  0.00  0.00    +0.092 A 
ATOM     15  N   LIG    1        0.386   0.981   0.676  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        1.328   1.872   1.036  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        2.675   1.728   0.752  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        3.091   0.596   0.052  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1        2.124  -0.341  -0.330  0.00  0.00    +0.040 A 
BRANCH  18  20
ATOM     20  C   LIG    1        4.485   0.369  -0.285  0.00  0.00    +0.112 A 
ATOM     21  N   LIG    1        4.937  -0.731  -0.972  0.00  0.00    -0.130 NA
ATOM     22  N   LIG    1        6.251  -0.628  -1.112  0.00  0.00    -0.068 NA
ATOM     23  N   LIG    1        6.627   0.515  -0.525  0.00  0.00    -0.264 N 
ATOM     24  H   LIG    1        7.609   0.765  -0.532  0.00  0.00    +0.190 HD
ATOM     25  C   LIG    1        5.562   1.177   0.008  0.00  0.00    +0.135 A 
ENDBRANCH  18  20
ENDBRANCH   4  14
TORSDOF 3