REMARK  Name = BDB003376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.195  -0.433  -0.474  0.00  0.00    -0.184 NA
ATOM      2  C   LIG    1        1.194  -0.995   0.127  0.00  0.00    +0.073 C 
ATOM      3  C   LIG    1        1.066  -2.236   0.910  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -0.282  -2.437   1.210  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -0.731  -3.528   1.937  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.222  -4.437   2.394  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.587  -4.225   2.138  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.087  -1.326   0.708  0.00  0.00    +0.073 C 
ATOM      9  N   LIG    1       -2.372  -1.275   0.841  0.00  0.00    -0.184 NA
ATOM     10  C   LIG    1        2.020  -3.114   1.402  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -0.167  -0.330   0.064  0.00  0.00    +0.115 C 
ENDROOT
BRANCH   1  14
ATOM     12  O   LIG    1        5.585  -1.208  -1.002  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        4.566  -0.521  -0.943  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1        3.362  -1.101  -0.597  0.00  0.00    -0.203 N 
ATOM     15  H   LIG    1        3.382  -2.111  -0.534  0.00  0.00    +0.178 HD
BRANCH  13  16
ATOM     16  C   LIG    1        4.656   0.937  -1.201  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        5.789   1.613  -0.746  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        5.889   2.965  -1.011  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        4.959   3.665  -1.695  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        3.886   2.979  -2.146  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        3.693   1.627  -1.934  0.00  0.00    +0.033 A 
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   9  22
ATOM     22  N   LIG    1       -3.027  -0.186   0.352  0.00  0.00    -0.203 N 
ATOM     23  H   LIG    1       -2.498   0.594  -0.014  0.00  0.00    +0.178 HD
ATOM     24  C   LIG    1       -4.398  -0.080   0.541  0.00  0.00    +0.263 C 
ATOM     25  O   LIG    1       -5.103  -0.891   1.133  0.00  0.00    -0.268 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -5.023   1.155  -0.001  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -4.560   1.768  -1.166  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1       -5.210   2.912  -1.594  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1       -6.261   3.463  -0.950  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1       -6.701   2.835   0.162  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -6.125   1.687   0.670  0.00  0.00    +0.033 A 
ENDBRANCH  24  26
ENDBRANCH   9  22
TORSDOF 4