REMARK  Name = BDB049287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.229  -1.942   1.720  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        2.014  -2.196   0.362  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        0.838  -1.894  -0.281  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        0.941  -2.229  -1.552  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.178  -2.805  -1.740  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.203  -1.321   0.502  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        0.062  -1.174   1.820  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.797  -2.797  -0.580  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.253  -1.471   2.452  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.537  -0.936  -0.018  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1       -2.235  -1.796  -0.877  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -3.488  -1.441  -1.386  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.069  -0.210  -1.055  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -3.372   0.655  -0.201  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.118   0.300   0.305  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.431   0.172  -1.596  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -5.438   1.455  -2.323  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -4.690   1.359  -3.580  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -6.816   1.866  -2.596  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1        3.443  -2.198   2.327  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        3.307  -2.046   3.325  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.653  -1.483   1.916  0.00  0.00    +0.143 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.133   0.877   1.114  0.00  0.00    +0.125 A 
ATOM     24  C   LIG    1        4.524   0.005   2.148  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        4.756   0.525   3.434  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        4.617   1.889   3.684  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.242   2.747   2.654  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.001   2.244   1.373  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        3.242   1.073  -1.092  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        3.922   0.297  -0.110  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7