REMARK  Name = BDB013211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.202   0.471  -0.515  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.080  -0.087  -1.488  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.427   0.007  -1.239  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        3.041  -0.527  -2.334  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.138  -0.986  -3.171  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.955   0.581  -0.081  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.154   1.102   0.808  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.898  -0.706  -2.638  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.795   1.023   0.569  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.110   0.386  -0.814  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -3.437   1.563  -0.446  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.041   1.599  -0.351  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.277   0.453  -0.607  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -1.946  -0.722  -0.973  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.342  -0.758  -1.068  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.224  -0.647  -1.851  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -5.638   0.405  -0.892  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -6.220   0.428   0.458  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1       -7.636   0.774   0.517  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -7.967   0.540   1.983  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -6.986  -0.533   2.443  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -6.079  -0.792   1.246  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        4.317   0.622   0.126  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        4.489   1.296   0.873  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        5.009  -0.616   0.479  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.444  -0.305   0.822  0.00  0.00    -0.020 A 
ATOM     27  C   LIG    1        7.494  -0.327  -0.126  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1        8.784  -0.008   0.288  0.00  0.00    +0.135 A 
ATOM     29  O   LIG    1        9.653  -0.087  -0.756  0.00  0.00    -0.463 OA
ATOM     30  C   LIG    1        8.932  -0.450  -1.847  0.00  0.00    +0.196 A 
ATOM     31  C   LIG    1        9.128   0.343   1.590  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        8.090   0.374   2.521  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        7.606  -0.610  -1.517  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1        6.780   0.061   2.148  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6