REMARK  Name = BDB008550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.289  -0.243   0.211  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.892  -0.183   0.252  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.172  -0.284  -0.931  0.00  0.00    -0.020 A 
ATOM      4  C   LIG    1       -1.319  -0.202  -1.133  0.00  0.00    +0.107 C 
ATOM      5  C   LIG    1       -1.461  -0.656  -2.606  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -0.125  -0.362  -3.301  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1        0.836  -0.390  -2.157  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1        2.219  -0.436  -2.217  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        2.946  -0.373  -1.023  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  10
ATOM     10  N   LIG    1       -2.171  -0.993  -0.229  0.00  0.00    -0.289 N 
ATOM     11  C   LIG    1       -3.487  -0.630   0.102  0.00  0.00    +0.246 C 
ATOM     12  O   LIG    1       -4.160  -1.303   0.892  0.00  0.00    -0.273 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -4.090   0.623  -0.566  0.00  0.00    +0.217 C 
ATOM     14  O   LIG    1       -3.448   1.814  -0.080  0.00  0.00    -0.365 OA
ATOM     15  C   LIG    1       -4.008   2.979  -0.703  0.00  0.00    +0.176 C 
ATOM     16  C   LIG    1       -5.516   3.085  -0.435  0.00  0.00    +0.109 C 
ATOM     17  N   LIG    1       -6.232   1.886  -0.899  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -7.205   1.939  -0.596  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -5.608   0.695  -0.281  0.00  0.00    +0.122 C 
ENDBRANCH  11  13
BRANCH  10  20
ATOM     20  C   LIG    1       -1.631  -2.185   0.406  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1       -0.832  -3.256  -0.291  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -2.238  -3.540   0.127  0.00  0.00    +0.024 C 
ENDBRANCH  10  20
ENDBRANCH   4  10
BRANCH   1  23
ATOM     23  O   LIG    1        2.895  -0.155   1.435  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.321  -0.246   1.463  0.00  0.00    +0.231 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.761  -0.148   2.921  0.00  0.00    +0.069 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.267  -0.314   3.079  0.00  0.00    +0.163 C 
BRANCH  26  28
ATOM     27  C   LIG    1        7.060   1.915   2.839  0.00  0.00    +0.193 C 
ATOM     28  O   LIG    1        7.006   0.608   2.280  0.00  0.00    -0.383 OA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8