REMARK  Name = BDB058549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.697  -0.739  -0.027  0.00  0.00    +0.035 C 
ATOM      2  C   LIG    1        1.213  -1.130  -1.451  0.00  0.00    +0.092 C 
ATOM      3  N   LIG    1        0.328  -0.110  -2.023  0.00  0.00    -0.303 NA
ATOM      4  C   LIG    1        0.032  -0.372  -3.429  0.00  0.00    +0.105 C 
ATOM      5  C   LIG    1       -0.913   0.051  -1.241  0.00  0.00    +0.106 C 
ATOM      6  C   LIG    1       -0.746  -0.202   0.284  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1        0.676   0.140   0.727  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.630   1.099   0.102  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        4.664   1.564  -0.792  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.397   0.978  -0.843  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.073  -0.093  -0.000  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        4.045  -0.549   0.902  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        5.314   0.040   0.951  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.840   1.328   0.945  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        6.826   1.761   0.048  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   6  16
ATOM     16  N   LIG    1       -1.702   0.591   1.074  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -1.608   1.567   0.785  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.042   0.286   0.995  0.00  0.00    +0.199 A 
ATOM     19  N   LIG    1       -3.539  -0.837   1.668  0.00  0.00    -0.282 N 
ATOM     20  C   LIG    1       -2.706  -1.626   2.557  0.00  0.00    +0.155 C 
ATOM     21  C   LIG    1       -4.876  -1.229   1.560  0.00  0.00    +0.279 A 
ATOM     22  O   LIG    1       -5.357  -2.231   2.082  0.00  0.00    -0.265 OA
ATOM     23  C   LIG    1       -5.635  -0.331   0.761  0.00  0.00    +0.130 A 
ATOM     24  C   LIG    1       -5.101   0.773   0.171  0.00  0.00    +0.097 A 
ATOM     25  C   LIG    1       -6.106   1.449  -0.535  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -7.265   0.717  -0.348  0.00  0.00    +0.085 A 
ATOM     27  N   LIG    1       -6.965  -0.368   0.446  0.00  0.00    -0.355 N 
ATOM     28  H   LIG    1       -7.614  -1.082   0.756  0.00  0.00    +0.166 HD
ATOM     29  N   LIG    1       -3.759   1.113   0.274  0.00  0.00    -0.214 NA
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4