REMARK  Name = BDB015976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.336   1.957   0.497  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.333   0.875   0.052  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.679   0.868   0.129  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.382   1.970   0.614  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.602   3.022   1.058  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.254   3.046   1.014  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.907   0.764  -0.147  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.505   0.804  -0.066  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.811   1.936   0.415  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.583   3.041   0.815  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.977   3.021   0.737  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.634   1.889   0.258  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.299  -2.765  -1.008  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.090  -1.978  -1.015  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.035  -2.397  -1.733  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.112  -1.457  -1.506  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.575  -0.426  -0.652  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.867  -0.808  -0.350  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.836   2.074   0.669  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -4.450   2.722   1.675  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -5.761   2.628   1.392  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.723   3.225   2.286  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -6.021   1.955   0.239  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.795   1.588  -0.262  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.364  -0.278  -0.321  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -3.051  -0.551   0.380  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.555  -1.413  -0.785  0.00  0.00    +0.076 C 
ATOM     28  C   LIG    1       -0.936  -2.184   0.390  0.00  0.00    +0.050 C 
ATOM     29  C   LIG    1       -0.832  -3.677   0.103  0.00  0.00    +0.161 C 
ATOM     30  O   LIG    1       -0.568  -3.892  -1.278  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -1.670  -3.539  -2.115  0.00  0.00    +0.161 C 
ATOM     32  C   LIG    1       -2.458  -2.338  -1.602  0.00  0.00    +0.050 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5