REMARK  Name = BDB035020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.343  -0.243   1.571  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -4.190   0.044   0.654  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -4.194   1.157  -0.199  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1       -3.212   1.467  -1.062  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -2.154   0.626  -1.069  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1       -2.065  -0.493  -0.251  0.00  0.00    +0.066 A 
ATOM      7  N   LIG    1       -0.866  -1.102  -0.527  0.00  0.00    -0.355 N 
ATOM      8  H   LIG    1       -0.508  -1.928  -0.058  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -0.186  -0.396  -1.498  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -0.974   0.685  -1.847  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -3.084  -0.817   0.641  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   3  12
ATOM     12  N   LIG    1       -5.281   2.039  -0.212  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -5.449   2.417   0.712  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.038   2.772  -0.875  0.00  0.00    +0.144 HD
ENDBRANCH   3  12
BRANCH   9  15
ATOM     15  C   LIG    1        1.150  -0.838  -1.992  0.00  0.00    +0.170 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.140  -0.587  -0.971  0.00  0.00    -0.228 N 
ATOM     17  C   LIG    1        2.296  -1.359   0.147  0.00  0.00    +0.254 C 
ATOM     18  O   LIG    1        1.662  -2.340   0.492  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1        3.395  -0.769   0.909  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        3.846   0.332   0.203  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.887   1.116   0.660  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.474   0.752   1.876  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.013  -0.370   2.595  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.957  -1.149   2.111  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.039   0.442  -1.012  0.00  0.00    +0.254 C 
ATOM     26  O   LIG    1        3.203   1.294  -1.863  0.00  0.00    -0.270 OA
ENDBRANCH  15  16
ENDBRANCH   9  15
TORSDOF 3