REMARK  Name = BDB052980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.835  -0.965   0.034  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.449  -2.402  -0.101  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.838  -2.766   0.285  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.266  -4.098   0.177  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.400  -5.073  -0.314  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.892  -4.720  -0.692  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.759  -1.750   0.819  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -2.899  -2.078   1.141  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.256  -0.463   0.932  0.00  0.00    -0.223 N 
ATOM     10  C   LIG    1        1.319  -3.392  -0.586  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1        0.002  -0.090   0.537  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.098  -0.548  -0.388  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        2.682  -1.240  -0.838  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1        4.809   3.631  -0.659  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        3.773   2.596  -0.424  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        2.619   2.924   0.170  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1        1.945   1.761   0.214  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        1.016   1.726   0.625  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1        2.621   0.705  -0.334  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.823   1.220  -0.758  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1       -2.128   0.608   1.407  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.826   1.317   0.272  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1       -4.047   0.846  -0.220  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -4.640   1.515  -1.279  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -4.107   2.603  -1.875  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -2.922   3.035  -1.393  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -2.251   2.435  -0.339  0.00  0.00    +0.025 A 
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4