REMARK  Name = BDB012491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.611   1.866   3.990  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        2.389   1.103   2.738  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1        1.154   0.764   2.162  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -0.266   0.898   2.360  0.00  0.00    +0.254 C 
ATOM      5  N   LIG    1       -0.876   0.241   1.246  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.157  -0.307   0.294  0.00  0.00    +0.159 C 
ATOM      7  O   LIG    1       -0.767   1.455   3.321  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.387   0.074   1.012  0.00  0.00    +0.057 A 
ATOM      9  N   LIG    1        2.721  -0.065   0.833  0.00  0.00    -0.342 N 
ATOM     10  C   LIG    1        3.353   0.585   1.874  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.249   0.054   1.061  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.753  -0.738   0.089  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1       -4.130  -0.886  -0.053  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1       -5.058  -0.268   0.760  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1       -6.271  -0.611   0.384  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -6.155  -1.460  -0.691  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1       -4.577   0.586   1.800  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1       -5.508   1.321   2.730  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.873  -1.619  -0.954  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1       -4.297  -2.444  -2.037  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1       -3.234   0.727   1.924  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   6  22
ATOM     22  C   LIG    1        0.091   0.295  -1.102  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.049   1.680  -1.304  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.090   2.213  -2.595  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        0.013   1.368  -3.696  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.034   2.023  -5.285  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        0.158  -0.005  -3.519  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        0.199  -0.539  -2.229  0.00  0.00    +0.007 A 
ENDBRANCH   6  22
BRANCH   9  29
ATOM     29  C   LIG    1        3.345  -0.754  -0.306  0.00  0.00    +0.115 C 
ATOM     30  C   LIG    1        4.153   0.182  -1.223  0.00  0.00    +0.110 C 
ATOM     31  N   LIG    1        5.273  -0.785  -1.207  0.00  0.00    -0.301 NA
ATOM     32  C   LIG    1        5.223  -1.653  -2.384  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        4.684  -1.462  -0.028  0.00  0.00    +0.110 C 
ENDBRANCH   9  29
TORSDOF 3