REMARK  Name = BDB028496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.194   1.407  -0.069  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -7.406   1.302   0.003  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -6.743   0.179   0.759  0.00  0.00    +0.213 C 
ATOM      4  N   LIG    1       -6.154  -0.834   0.013  0.00  0.00    -0.300 N 
ATOM      5  C   LIG    1       -5.407  -1.862   0.740  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1       -4.002  -1.407   1.163  0.00  0.00    +0.128 C 
ATOM      7  N   LIG    1       -3.170  -0.779   0.126  0.00  0.00    -0.284 N 
ATOM      8  C   LIG    1       -2.039  -0.112   0.572  0.00  0.00    +0.302 C 
ATOM      9  N   LIG    1       -1.370   0.598  -0.389  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -1.988   1.005  -1.074  0.00  0.00    +0.150 HD
ATOM     11  O   LIG    1       -1.651  -0.152   1.736  0.00  0.00    -0.253 OA
ATOM     12  C   LIG    1       -3.437  -1.091  -1.281  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -4.590  -0.257  -1.839  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -5.960  -0.796  -1.434  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1       -6.747   0.175   1.990  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1        1.031   0.574   0.376  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.945   0.315   1.785  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.028   0.007   1.962  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        2.345   1.349   0.098  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.559   0.509  -0.048  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        4.709   1.373  -0.392  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        6.037   0.649  -0.431  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        6.215  -0.566   0.250  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        7.464  -1.200   0.231  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        8.539  -0.618  -0.440  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        8.373   0.597  -1.100  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.044  -1.215   0.940  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        7.130   1.230  -1.094  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.870  -0.251   1.174  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5