REMARK  Name = BDB022051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.456   0.335   1.700  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.681  -0.240   0.501  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -0.803  -0.408   0.801  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -1.438   0.846   1.215  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1       -2.800   0.865   1.551  0.00  0.00    +0.309 C 
ATOM      6  N   LIG    1       -3.595   0.006   0.788  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1       -4.758  -0.636   1.323  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -5.711  -1.197   0.450  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -6.861  -1.815   0.947  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -7.059  -1.920   2.322  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.106  -1.406   3.198  0.00  0.00    +0.002 A 
ATOM     12  O   LIG    1       -5.611  -1.175  -0.922  0.00  0.00    -0.485 OA
ATOM     13  C   LIG    1       -4.278  -0.905  -1.381  0.00  0.00    +0.191 C 
ATOM     14  C   LIG    1       -4.961  -0.774   2.703  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.696   0.297  -0.645  0.00  0.00    +0.159 C 
ATOM     16  O   LIG    1       -3.246   1.591   2.438  0.00  0.00    -0.252 OA
ATOM     17  C   LIG    1       -0.563   1.846   1.835  0.00  0.00    +0.110 C 
ATOM     18  C   LIG    1        0.559   1.180   2.623  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  21
ATOM     19  N   LIG    1        3.629   0.334   0.630  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1        3.475  -0.665   0.679  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.649   1.146   1.181  0.00  0.00    +0.220 C 
ATOM     22  O   LIG    1        2.670   2.370   1.243  0.00  0.00    -0.275 OA
BRANCH  19  25
ATOM     23  C   LIG    1        6.914   0.017  -1.052  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        5.686  -0.283  -0.440  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        4.841   0.734   0.029  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        5.236   2.062  -0.126  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.453   2.371  -0.740  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.287   1.355  -1.203  0.00  0.00    +0.004 A 
BRANCH  23  30
ATOM     29  C   LIG    1        7.467  -1.462  -3.002  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        7.803  -1.087  -1.566  0.00  0.00    +0.032 C 
ENDBRANCH  23  30
ENDBRANCH  19  25
ENDBRANCH   1  21
BRANCH  13  31
ATOM     31  C   LIG    1       -4.318  -0.710  -2.903  0.00  0.00    +0.043 C 
ATOM     32  C   LIG    1       -5.186   0.453  -3.367  0.00  0.00    +0.007 C 
ENDBRANCH  13  31
TORSDOF 4