REMARK  Name = BDB015881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.744   1.960   0.393  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.150   1.060  -0.064  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.462   1.356   0.006  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.896   2.590   0.493  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.900   3.441   0.940  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.415   3.155   0.910  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.942  -0.022  -0.252  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.590   0.355  -0.199  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.174   1.593   0.334  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.177   2.457   0.810  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.527   2.100   0.761  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.906   0.866   0.235  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.449  -3.706  -2.449  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.436  -2.936  -1.770  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.269  -3.518  -1.445  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.586  -2.535  -0.853  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.311  -1.321  -0.791  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.512  -1.623  -1.402  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.282   3.004   0.573  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.179   2.979  -0.474  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.350   3.479   0.015  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.589   3.653  -0.704  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.279   3.835   1.311  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.016   3.556   1.645  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.384   0.422  -0.490  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -3.224   0.412   0.079  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.911  -0.914  -0.849  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.933  -1.924   0.313  0.00  0.00    -0.017 C 
ATOM     29  C   LIG    1       -1.285  -3.288  -0.088  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1       -0.633  -3.338   1.307  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -0.793  -1.808   1.374  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1       -3.332  -2.097   0.918  0.00  0.00    +0.013 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6