REMARK  Name = BDB056897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.221   2.050  -2.113  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -0.520   1.234  -1.191  0.00  0.00    +0.119 A 
ATOM      3  C   LIG    1        0.815   1.407  -1.488  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        1.789   0.742  -0.766  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1        1.343  -0.058   0.231  0.00  0.00    -0.198 NA
ATOM      6  C   LIG    1        0.024  -0.179   0.472  0.00  0.00    +0.218 A 
ATOM      7  N   LIG    1        0.840   2.296  -2.519  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1        1.655   2.675  -2.987  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -0.952   0.438  -0.196  0.00  0.00    -0.211 NA
ATOM     10  N   LIG    1       -0.376   2.707  -2.928  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.136   3.623  -1.748  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -2.708   2.230  -2.216  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -3.225   1.955  -3.630  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   6  14
ATOM     14  N   LIG    1       -0.286  -1.025   1.542  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1        0.627  -1.195   1.956  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.244  -0.435   2.492  0.00  0.00    +0.090 C 
ATOM     17  C   LIG    1       -0.862  -0.886   3.939  0.00  0.00    +0.071 C 
ATOM     18  C   LIG    1       -1.874  -0.346   4.954  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -3.315  -0.722   4.604  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -3.675  -0.320   3.176  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -2.680  -0.864   2.153  0.00  0.00    +0.024 C 
BRANCH  17  22
ATOM     22  N   LIG    1       -0.772  -2.351   4.061  0.00  0.00    -0.326 NA
ATOM     23  H   LIG    1       -0.148  -2.605   4.822  0.00  0.00    +0.119 HD
ATOM     24  H   LIG    1       -0.388  -2.736   3.199  0.00  0.00    +0.119 HD
ENDBRANCH  17  22
ENDBRANCH  14  16
ENDBRANCH   6  14
BRANCH   4  25
ATOM     25  N   LIG    1        3.147   0.916  -1.006  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        3.360   1.208  -1.951  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.048  -0.121  -0.522  0.00  0.00    +0.138 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.304  -1.134  -1.613  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.328  -0.927  -2.550  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        5.545  -1.850  -3.574  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.741  -2.985  -3.671  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.711  -3.193  -2.755  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        3.492  -2.270  -1.733  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 7