REMARK  Name = BDB015844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.671   2.047  -0.295  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.148   1.019   0.013  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.482   1.183  -0.143  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -2.002   2.408  -0.578  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.072   3.393  -0.864  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.258   3.246  -0.736  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.061   0.335   0.022  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.683   0.554  -0.132  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.124   1.845  -0.141  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.010   2.929  -0.003  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.385   2.730   0.152  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.907   1.438   0.167  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.738  -3.720   1.039  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.764  -2.806   0.493  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.844  -3.262  -0.377  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.132  -2.172  -0.674  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.576  -1.022   0.018  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.643  -1.474   0.767  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  N   LIG    1       -2.295   0.096   0.162  0.00  0.00    -0.314 N 
ATOM     20  C   LIG    1       -1.910  -0.800   1.253  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1       -1.486  -2.204   0.789  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -2.478  -2.757  -0.246  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1       -2.710  -1.774  -1.389  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -3.197  -0.427  -0.864  0.00  0.00    +0.106 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -0.028  -2.220   0.301  0.00  0.00    +0.082 C 
BRANCH  25  26
ATOM     26  N   LIG    1        0.447  -3.583   0.050  0.00  0.00    -0.330 NA
ATOM     27  H   LIG    1        1.436  -3.556  -0.203  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1        0.403  -4.124   0.912  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH   3  19
BRANCH   4  29
ATOM     29  C   LIG    1       -3.411   2.736  -0.677  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -4.338   2.561   0.329  0.00  0.00    +0.116 A 
ATOM     31  N   LIG    1       -5.523   3.023  -0.161  0.00  0.00    -0.274 N 
ATOM     32  C   LIG    1       -6.796   3.041   0.518  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1       -5.433   3.509  -1.413  0.00  0.00    -0.179 NA
ATOM     34  C   LIG    1       -4.144   3.341  -1.722  0.00  0.00    +0.143 A 
ENDBRANCH   4  29
TORSDOF 6