REMARK  Name = BDB035047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.410   0.981  -0.420  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -0.138   1.624  -0.449  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.799   1.111  -1.326  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.900   1.935  -1.267  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.602   2.865  -0.299  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.557  -0.023  -2.120  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.624  -0.579  -2.119  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.347   2.657   0.217  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -1.577  -0.057  -1.269  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -5.870   2.353   1.544  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -4.458   1.978   1.300  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -3.590   1.930   2.313  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -2.420   1.570   1.740  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -1.278   1.382   2.607  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -2.522   1.373   0.380  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -3.848   1.628   0.079  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        2.437   3.935   0.155  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        3.151   4.780   0.508  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.544  -0.563  -2.919  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.095  -1.271  -3.499  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.748  -1.150  -2.328  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.405  -2.244  -1.344  0.00  0.00    -0.020 A 
ATOM     23  C   LIG    1        2.492  -2.082   0.060  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        2.112  -3.137   0.885  0.00  0.00    +0.135 A 
ATOM     25  O   LIG    1        2.255  -2.794   2.194  0.00  0.00    -0.463 OA
ATOM     26  C   LIG    1        2.730  -1.524   2.224  0.00  0.00    +0.196 A 
ATOM     27  C   LIG    1        1.650  -4.367   0.428  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        1.571  -4.526  -0.956  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        2.895  -1.042   0.946  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        1.937  -3.492  -1.821  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5