REMARK  Name = BDB025609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.230  -1.183  -0.351  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.182   0.295   0.441  0.00  0.00    +0.164 C 
ATOM      3  N   LIG    1       -1.851  -0.281   0.722  0.00  0.00    -0.286 N 
ATOM      4  C   LIG    1       -0.892  -0.134  -0.292  0.00  0.00    +0.241 C 
ATOM      5  O   LIG    1       -0.916   0.822  -1.071  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1       -1.398   0.263   2.013  0.00  0.00    +0.140 C 
ATOM      7  C   LIG    1       -2.467   1.278   2.451  0.00  0.00    +0.134 C 
ATOM      8  C   LIG    1       -3.170   1.643   1.148  0.00  0.00    +0.065 C 
BRANCH   2  12
ATOM      9  C   LIG    1       -5.013   1.267  -2.784  0.00  0.00    +0.128 C 
ATOM     10  N   LIG    1       -4.535   1.226  -1.424  0.00  0.00    -0.317 N 
ATOM     11  H   LIG    1       -4.493   2.107  -0.932  0.00  0.00    +0.148 HD
ATOM     12  C   LIG    1       -3.692   0.209  -1.020  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1       -3.440  -0.760  -1.737  0.00  0.00    -0.274 OA
ENDBRANCH   2  12
BRANCH   7  14
ATOM     14  O   LIG    1       -3.416   0.707   3.353  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -3.419  -0.261   3.248  0.00  0.00    +0.210 HD
ENDBRANCH   7  14
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  N   LIG    1        1.434  -0.598   0.220  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        1.675  -0.645   1.544  0.00  0.00    -0.064 NA
ATOM     18  N   LIG    1        2.833  -0.038   1.760  0.00  0.00    -0.129 NA
ATOM     19  C   LIG    1        3.329   0.394   0.554  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        2.447   0.038  -0.442  0.00  0.00    +0.139 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.586   1.105   0.410  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        5.405   1.292   1.527  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        6.601   1.973   1.371  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        7.030   2.473   0.194  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        6.226   2.285  -0.872  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        5.013   1.617  -0.818  0.00  0.00    +0.030 A 
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   1  27
ATOM     27  C   LIG    1       -0.112  -2.599   0.189  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -1.310  -3.216  -0.546  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1        1.078  -3.562   0.040  0.00  0.00    +0.010 C 
ENDBRANCH   1  27
TORSDOF 6