REMARK  Name = BDB008659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.753  -0.192   0.876  0.00  0.00    -0.246 N 
ATOM      2  C   LIG    1        1.522  -1.430   0.353  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1        0.193  -1.721   0.635  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.290  -2.954   0.170  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        0.593  -3.784  -0.527  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.908  -3.373  -0.738  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        2.845  -4.273  -1.494  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.288  -0.574   1.343  0.00  0.00    +0.092 A 
ATOM      9  N   LIG    1        2.412  -2.193  -0.313  0.00  0.00    -0.233 NA
ATOM     10  N   LIG    1        0.675   0.362   1.462  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.657  -0.254   1.933  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1       -1.602  -0.355   3.466  0.00  0.00    +0.035 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.736  -1.046   1.293  0.00  0.00    -0.288 N 
ATOM     14  C   LIG    1       -3.067  -0.885  -0.065  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.630  -1.783  -0.702  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.720   0.468  -0.737  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -3.353   1.553  -0.039  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -4.401   2.190  -0.778  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -5.246   1.188  -1.572  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -4.471   0.479  -2.604  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.806  -0.489  -2.626  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.037   0.447  -2.252  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -3.274  -2.182   2.027  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -4.309  -1.973   3.109  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -4.689  -2.682   1.853  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.004   0.539   0.821  0.00  0.00    +0.147 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.107   1.391  -0.439  0.00  0.00    +0.042 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.444   2.114  -0.496  0.00  0.00    +0.109 C 
BRANCH  28  30
ATOM     29  C   LIG    1        5.570   3.812  -1.923  0.00  0.00    +0.400 C 
ATOM     30  N   LIG    1        4.555   2.929  -1.686  0.00  0.00    -0.281 N 
ATOM     31  H   LIG    1        4.080   2.644  -2.534  0.00  0.00    +0.152 HD
ATOM     32  O   LIG    1        5.736   4.321  -3.023  0.00  0.00    -0.226 OA
BRANCH  29  34
ATOM     33  C   LIG    1        7.404   4.964  -1.053  0.00  0.00    +0.282 C 
ATOM     34  O   LIG    1        6.340   4.038  -0.830  0.00  0.00    -0.454 OA
ENDBRANCH  29  34
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9