REMARK  Name = BDB018792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.399   0.031   0.838  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        1.362  -0.354  -0.001  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.486  -0.983  -1.351  0.00  0.00    +0.060 C 
ATOM      4  C   LIG    1        0.034  -1.327  -1.663  0.00  0.00    +0.118 C 
ATOM      5  N   LIG    1       -0.812  -0.633  -0.678  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1       -2.180  -0.626  -0.878  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1       -2.666  -1.258  -1.828  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1        0.021  -0.145   0.350  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -0.282   0.433   1.573  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.762   0.795   2.437  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        2.097   0.586   2.075  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -3.099   0.150   0.069  0.00  0.00    +0.170 C 
ATOM     13  N   LIG    1       -4.402   0.539  -0.566  0.00  0.00    -0.258 N 
ATOM     14  C   LIG    1       -5.464  -0.395  -0.112  0.00  0.00    +0.117 C 
ATOM     15  C   LIG    1       -4.751  -1.449   0.722  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -3.526  -0.723   1.250  0.00  0.00    +0.034 C 
BRANCH  13  17
ATOM     17  C   LIG    1       -4.503   1.334  -1.638  0.00  0.00    +0.170 C 
ATOM     18  N   LIG    1       -4.588   2.046  -2.547  0.00  0.00    -0.174 NA
ENDBRANCH  13  17
ENDBRANCH   6  12
BRANCH   1  19
ATOM     19  O   LIG    1        3.702  -0.200   0.507  0.00  0.00    -0.489 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.085   0.213  -1.396  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        4.249   0.861  -0.296  0.00  0.00    +0.167 C 
ATOM     22  C   LIG    1        5.127   1.749   0.580  0.00  0.00    +0.051 C 
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 4