REMARK  Name = BDB056220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.071  -0.231  -0.362  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1        3.370  -1.171   0.625  0.00  0.00    +0.096 C 
ATOM      3  N   LIG    1        1.984  -1.424   0.214  0.00  0.00    -0.310 NA
ATOM      4  H   LIG    1        1.992  -1.826  -0.724  0.00  0.00    +0.122 HD
ATOM      5  C   LIG    1        1.134  -0.206   0.250  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1        0.317  -0.213   1.569  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.062  -0.836   1.375  0.00  0.00    +0.108 C 
ATOM      8  N   LIG    1       -1.836   0.019   0.459  0.00  0.00    -0.313 N 
ATOM      9  C   LIG    1       -1.127   0.498  -0.738  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        0.172  -0.276  -0.970  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1        1.989   1.095   0.204  0.00  0.00    +0.023 C 
ATOM     12  C   LIG    1        3.198   0.979  -0.725  0.00  0.00    +0.018 C 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.130  -0.451   0.217  0.00  0.00    +0.150 A 
ATOM     14  C   LIG    1       -4.144   0.362  -0.267  0.00  0.00    +0.125 A 
ATOM     15  C   LIG    1       -5.412  -0.134  -0.500  0.00  0.00    +0.183 A 
ATOM     16  N   LIG    1       -6.245   0.845  -0.978  0.00  0.00    -0.216 NA
ATOM     17  C   LIG    1       -5.508   1.933  -1.007  0.00  0.00    +0.199 A 
ATOM     18  N   LIG    1       -5.761  -1.411  -0.275  0.00  0.00    -0.214 NA
ATOM     19  C   LIG    1       -4.749  -2.131   0.224  0.00  0.00    +0.225 A 
ATOM     20  N   LIG    1       -4.234   1.691  -0.577  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -3.492   2.368  -0.475  0.00  0.00    +0.167 HD
ATOM     22  N   LIG    1       -3.486  -1.729   0.484  0.00  0.00    -0.219 NA
ENDBRANCH   8  13
BRANCH   1  24
ATOM     23  O   LIG    1        5.779   0.132   1.359  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        5.400   0.212   0.204  0.00  0.00    +0.309 C 
BRANCH  24  25
ATOM     25  O   LIG    1        6.204   0.744  -0.740  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1        7.021   0.983  -0.252  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 3