REMARK  Name = BDB012782
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.428  -0.596   1.490  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.446   0.354   0.994  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.834   0.377   1.453  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.518   1.450   0.594  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -1.371   2.438   0.362  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.144   1.544   0.216  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.047  -1.406   2.336  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.831  -0.563   0.109  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        3.962  -1.337   1.191  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        2.724  -1.385   1.705  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.555  -1.946   2.535  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        1.796  -0.634   1.028  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.497  -0.109  -0.039  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.107   0.486  -0.047  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.002  -0.271  -0.786  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        5.558  -1.543  -1.430  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.966   0.925  -0.708  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -2.266   0.319  -1.129  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -4.181   0.213  -0.664  0.00  0.00    +0.119 A 
ATOM     20  N   LIG    1       -4.876   0.116   0.487  0.00  0.00    -0.241 NA
ATOM     21  C   LIG    1       -6.043  -0.568   0.466  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1       -6.567  -1.167  -0.664  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -5.853  -1.054  -1.847  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.649  -0.353  -1.848  0.00  0.00    +0.043 A 
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 4