REMARK  Name = BDB015912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.142   2.358  -0.347  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.359   1.274  -0.175  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.980   1.446  -0.131  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.558   2.704  -0.303  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.665   3.748  -0.458  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.677   3.610  -0.483  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.556   0.648  -0.372  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.167   0.859  -0.343  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.605   2.153  -0.381  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.497   3.239  -0.450  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.880   3.046  -0.475  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.406   1.757  -0.434  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.206  -4.230  -1.033  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.379  -2.853  -0.642  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.490  -2.490   0.023  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.327  -1.176   0.206  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.111  -0.694  -0.332  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.523  -1.817  -0.878  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.992   2.967  -0.328  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.498   4.108   0.171  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.825   4.007  -0.020  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.689   5.076   0.420  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.198   2.854  -0.639  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.034   2.159  -0.861  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.792   0.307   0.080  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.439   0.533   0.834  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.064  -0.936   0.333  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.047  -2.115   0.416  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1       -2.933  -2.032   1.664  0.00  0.00    +0.101 C 
ATOM     30  C   LIG    1       -3.762  -3.274   1.908  0.00  0.00    +0.213 C 
ATOM     31  O   LIG    1       -4.824  -3.242   2.525  0.00  0.00    -0.276 OA
ATOM     32  N   LIG    1       -3.232  -4.470   1.513  0.00  0.00    -0.315 N 
ATOM     33  H   LIG    1       -3.857  -5.250   1.686  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1       -2.268  -4.596   0.447  0.00  0.00    +0.104 C 
ATOM     35  C   LIG    1       -1.280  -3.443   0.427  0.00  0.00    +0.024 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6