REMARK  Name = BDB060624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.660  -0.355  -0.705  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.230   0.763  -0.156  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -2.626   1.309  -0.197  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -2.511   2.315   0.957  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -1.121   2.790   0.907  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -0.723   3.647   2.006  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -1.731   4.822   2.050  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -3.113   4.384   2.070  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -3.420   3.542   0.931  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.403   1.660   0.506  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        0.903   1.492   0.664  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.389   0.373   0.103  0.00  0.00    +0.166 A 
ATOM     13  N   LIG    1        0.668  -0.541  -0.583  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -1.491  -3.051   0.385  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -2.292  -2.160  -0.573  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -1.430  -1.284  -1.415  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -0.656  -2.044  -2.423  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -1.608  -2.910  -3.262  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -2.394  -3.788  -2.438  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -3.175  -3.023  -1.506  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.837   0.158   0.191  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.452  -1.095   0.368  0.00  0.00    +0.070 A 
ATOM     23  C   LIG    1        4.859  -1.169   0.387  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1        5.611  -0.014   0.265  0.00  0.00    +0.117 A 
ATOM     25  N   LIG    1        5.055   1.191   0.114  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        3.699   1.251   0.083  0.00  0.00    +0.125 A 
BRANCH  22  27
ATOM     27  C   LIG    1        2.662  -2.366   0.550  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        3.421  -3.371   1.086  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        1.611  -2.242   1.405  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        2.180  -2.877  -0.614  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
BRANCH  24  31
ATOM     31  N   LIG    1        7.000  -0.068   0.261  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1        7.333   0.892   0.199  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1        7.364  -0.537   1.081  0.00  0.00    +0.144 HD
ENDBRANCH  24  31
ENDBRANCH  12  21
TORSDOF 4