REMARK  Name = BDB062242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.989  -0.355   0.184  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        2.400   0.181   1.319  0.00  0.00    -0.277 N 
ATOM      3  C   LIG    1        1.061   0.041   1.542  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1        0.710   0.633   2.661  0.00  0.00    -0.126 NA
ATOM      5  N   LIG    1        1.862   1.175   3.201  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.237  -0.673   0.590  0.00  0.00    +0.164 A 
ATOM      7  N   LIG    1        0.808  -1.174  -0.486  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.861   0.894   2.388  0.00  0.00    +0.230 A 
ATOM      9  C   LIG    1        2.173  -1.010  -0.670  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.126   1.984  -1.301  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.976   0.857  -0.785  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.424  -0.233  -0.097  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        5.291  -1.243   0.339  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        6.655  -1.141   0.089  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.112  -0.027  -0.591  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.307   0.965  -1.028  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.117  -0.832   0.797  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -1.501  -0.213   1.512  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.036  -1.117  -0.295  0.00  0.00    +0.147 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.452  -1.363   0.257  0.00  0.00    +0.195 C 
ATOM     21  O   LIG    1       -3.924  -0.142   0.901  0.00  0.00    -0.487 OA
ATOM     22  C   LIG    1       -4.820   0.389   0.013  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -5.144  -0.464  -1.031  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.043  -0.076  -2.008  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1       -6.599   1.198  -1.908  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.273   2.060  -0.853  0.00  0.00    +0.042 A 
ATOM     27  F   LIG    1       -7.471   1.606  -2.839  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -5.370   1.650   0.130  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -4.447  -1.756  -0.847  0.00  0.00    +0.085 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4