REMARK  Name = BDB031077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.830   1.127  -1.218  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -3.456   0.032  -0.284  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.185  -0.427  -0.343  0.00  0.00    +0.105 A 
ATOM      4  N   LIG    1       -1.265   0.125  -1.232  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -1.579   1.183  -2.076  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.539   1.583  -2.772  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1        0.486   0.764  -2.378  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        0.064  -0.185  -1.464  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -2.915   1.664  -2.058  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -4.381  -0.533   0.656  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -5.216   0.153   1.510  0.00  0.00    +0.116 A 
ATOM     12  N   LIG    1       -5.893  -0.795   2.220  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1       -6.896  -0.569   3.232  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -5.539  -2.056   1.907  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -4.624  -1.893   0.947  0.00  0.00    +0.143 A 
ENDBRANCH   2  10
BRANCH   8  16
ATOM     16  C   LIG    1        0.829  -1.244  -0.831  0.00  0.00    +0.091 A 
ATOM     17  N   LIG    1        2.008  -0.830  -0.319  0.00  0.00    -0.231 NA
ATOM     18  C   LIG    1        2.818  -1.740   0.250  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        2.453  -3.082   0.336  0.00  0.00    +0.043 A 
ATOM     20  C   LIG    1        1.235  -3.499  -0.194  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.406  -2.565  -0.798  0.00  0.00    +0.030 A 
BRANCH  18  22
ATOM     22  N   LIG    1        4.067  -1.363   0.774  0.00  0.00    -0.323 N 
ATOM     23  H   LIG    1        4.075  -1.632   1.755  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.450   0.053   0.570  0.00  0.00    +0.108 C 
ATOM     25  C   LIG    1        5.100   0.272  -0.814  0.00  0.00    +0.200 C 
ATOM     26  F   LIG    1        4.183   0.154  -1.815  0.00  0.00    -0.242 F 
ATOM     27  C   LIG    1        5.713   1.673  -0.909  0.00  0.00    +0.119 C 
ATOM     28  N   LIG    1        6.656   1.988   0.171  0.00  0.00    -0.313 NA
ATOM     29  H   LIG    1        7.462   1.364   0.108  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        6.014   1.832   1.474  0.00  0.00    +0.083 C 
ATOM     31  C   LIG    1        5.464   0.423   1.669  0.00  0.00    +0.040 C 
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH   8  16
BRANCH   1  33
ATOM     32  C   LIG    1       -5.622   2.515  -2.024  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -5.158   1.498  -1.146  0.00  0.00    -0.494 OA
ENDBRANCH   1  33
TORSDOF 5