REMARK  Name = BDB035032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.057   2.586   2.604  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -3.520   1.510   1.704  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -4.263   1.030   0.617  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1       -3.859   0.057  -0.216  0.00  0.00    -0.229 NA
ATOM      5  C   LIG    1       -2.637  -0.467   0.035  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -1.834  -0.038   1.087  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1       -0.676  -0.775   1.042  0.00  0.00    -0.354 N 
ATOM      8  H   LIG    1        0.126  -0.661   1.656  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1       -0.718  -1.666  -0.012  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1       -1.932  -1.483  -0.653  0.00  0.00    +0.100 A 
ATOM     11  C   LIG    1       -2.253   0.969   1.952  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   3  12
ATOM     12  N   LIG    1       -5.534   1.544   0.340  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -5.859   1.075  -0.502  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.504   2.549   0.218  0.00  0.00    +0.144 HD
ENDBRANCH   3  12
BRANCH  10  15
ATOM     15  C   LIG    1       -2.375  -2.192  -1.808  0.00  0.00    +0.103 C 
ATOM     16  N   LIG    1       -2.671  -2.798  -2.754  0.00  0.00    -0.191 NA
ENDBRANCH  10  15
BRANCH   9  17
ATOM     17  C   LIG    1        0.420  -2.585  -0.271  0.00  0.00    +0.159 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.515  -1.813  -0.806  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1        1.740  -1.942  -1.783  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.369  -1.103   0.011  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        2.222  -1.028   1.228  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.511  -0.419  -0.654  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        3.428   0.054  -1.970  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.526   0.694  -2.550  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.701   0.870  -1.819  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.781   0.415  -0.504  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.687  -0.224   0.081  0.00  0.00    +0.013 A 
ENDBRANCH  20  22
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 5