REMARK  Name = BDB015874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.135  -0.229  -0.638  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.074  -0.799  -0.810  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.109  -0.013  -1.168  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -0.942   1.356  -1.388  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.338   1.839  -1.185  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        1.383   1.081  -0.804  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.628  -1.396   0.378  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.551  -0.582  -0.013  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.256  -1.101  -0.228  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.078  -2.483  -0.034  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.136  -3.307   0.356  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.404  -2.764   0.562  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        9.547  -0.774   0.692  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        8.121  -0.558   0.723  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.644   0.654   1.056  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.320   0.499   0.973  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.941  -0.811   0.594  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        7.145  -1.468   0.438  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.013   2.242  -1.798  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -2.263   3.486  -1.254  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -3.368   3.967  -1.898  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -4.024   5.232  -1.674  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -3.858   3.122  -2.821  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.028   2.077  -2.767  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.370  -0.608  -1.356  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -3.093  -0.032  -0.937  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.516  -2.003  -0.938  0.00  0.00    +0.118 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.619  -2.184   0.596  0.00  0.00    +0.103 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.667  -1.460   1.322  0.00  0.00    -0.297 NA
ATOM     30  C   LIG    1       -5.024  -1.548   0.789  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -5.996  -0.792   1.712  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -5.697   0.602   1.865  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -4.365   0.951   1.478  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -3.319  -0.126   1.820  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7