REMARK  Name = BDB013088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.271   0.052   0.294  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.659  -0.588  -0.818  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.708  -0.717  -0.795  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.037  -1.331  -1.969  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.052  -1.583  -2.660  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.510  -0.259   0.260  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.943   0.343   1.270  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.124  -1.115  -1.933  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.430   0.489   1.259  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.447   0.696   0.736  0.00  0.00    +0.043 A 
ATOM     11  N   LIG    1        4.753   0.163   1.771  0.00  0.00    -0.259 NA
ATOM     12  C   LIG    1        3.423  -0.030   1.593  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1        2.722   0.290   0.431  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.468   0.827  -0.620  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.839   1.037  -0.469  0.00  0.00    +0.024 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.931   0.882   0.933  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.737  -0.192   0.206  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1        8.454  -0.904  -1.927  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1        7.829   0.136  -1.185  0.00  0.00    -0.383 OA
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -2.873  -0.454   0.197  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.226  -1.215  -0.373  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.733  -0.123   1.317  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.163  -0.395   0.936  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -5.869   0.449   0.083  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.431   1.677  -0.624  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.789   2.183  -1.113  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.722   1.079  -1.148  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -7.174   0.160  -0.292  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.832  -0.969   0.149  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -7.147  -1.830   1.008  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.826  -1.547   1.396  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 7