REMARK  Name = BDB063015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.910   4.265  -3.409  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -1.342   3.259  -2.457  0.00  0.00    -0.032 A 
ATOM      3  C   LIG    1       -2.155   2.278  -1.878  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -1.569   1.381  -0.965  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.020   0.277  -0.182  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1       -0.933  -0.218   0.504  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.151   0.568   0.196  0.00  0.00    -0.329 N 
ATOM      8  C   LIG    1       -0.214   1.544  -0.694  0.00  0.00    +0.143 A 
ATOM      9  N   LIG    1        0.614   2.477  -1.206  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -0.002   3.310  -2.077  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -3.287  -0.203  -0.203  0.00  0.00    -0.311 N 
ATOM     12  H   LIG    1       -3.886   0.113  -0.975  0.00  0.00    +0.152 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -3.996  -1.074   0.657  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -5.156  -1.753   0.230  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -5.805  -2.663   1.075  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -5.282  -2.874   2.335  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -4.188  -2.245   2.797  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -3.580  -1.370   1.954  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -5.714  -1.485  -1.120  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -5.387  -0.568  -1.854  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -6.655  -2.372  -1.490  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.918  -2.086  -2.391  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   7  23
ATOM     23  C   LIG    1        1.494   0.390   0.724  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.388  -0.401  -0.244  0.00  0.00    +0.106 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.764  -0.664   0.204  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1        3.863  -1.692   1.243  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        5.120  -1.575   2.100  0.00  0.00    +0.091 C 
ATOM     28  C   LIG    1        6.291  -1.113   1.264  0.00  0.00    +0.251 C 
ATOM     29  F   LIG    1        7.379  -0.960   2.067  0.00  0.00    -0.206 F 
ATOM     30  F   LIG    1        6.622  -2.091   0.379  0.00  0.00    -0.206 F 
ATOM     31  C   LIG    1        6.035   0.188   0.521  0.00  0.00    +0.091 C 
ATOM     32  C   LIG    1        4.548   0.534   0.467  0.00  0.00    +0.090 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   7  23
TORSDOF 7