REMARK  Name = BDB058181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.687  -0.505  -0.010  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.812   0.846   0.178  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -2.002   1.735   0.175  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -1.369   3.008   0.760  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1        0.073   3.018   0.374  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        0.376   3.641  -0.934  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -0.385   4.960  -1.092  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -1.800   4.740  -0.957  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -2.095   4.306   0.376  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        0.341   1.607   0.242  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.566   1.106   0.117  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.619  -0.225  -0.053  0.00  0.00    +0.165 A 
ATOM     13  N   LIG    1        0.541  -1.042  -0.130  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -2.045  -1.319   2.400  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -2.713  -1.509   1.035  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -1.795  -1.334  -0.125  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -1.581  -2.552  -0.918  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -2.949  -3.124  -1.331  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -3.898  -3.272  -0.263  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -3.359  -2.923   1.014  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.946  -0.842  -0.182  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        4.120  -0.094  -0.097  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        5.381  -0.592  -0.209  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        5.503  -1.909  -0.417  0.00  0.00    +0.116 A 
ATOM     25  C   LIG    1        4.410  -2.755  -0.508  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        3.127  -2.216  -0.393  0.00  0.00    +0.016 A 
BRANCH  24  27
ATOM     27  N   LIG    1        6.798  -2.409  -0.509  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        6.934  -2.932  -1.366  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        7.422  -1.607  -0.454  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  12  21
TORSDOF 3