REMARK  Name = BDB008634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.170   0.528   0.599  0.00  0.00    -0.246 N 
ATOM      2  C   LIG    1        2.100   0.781  -0.742  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1        0.885   1.422  -0.940  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.566   1.808  -2.252  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        1.488   1.509  -3.256  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        2.666   0.854  -2.920  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.290   1.489   0.358  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1        3.024   0.467  -1.675  0.00  0.00    -0.236 NA
ATOM      9  N   LIG    1        1.117   0.996   1.299  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.055   2.084   0.736  0.00  0.00    +0.124 C 
ATOM     11  C   LIG    1       -1.458   1.874   2.200  0.00  0.00    +0.035 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -2.133   1.640  -0.182  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1       -2.397   0.266  -0.319  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -1.807  -0.587   0.349  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.445  -0.153  -1.385  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.784   0.210  -1.028  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -5.630  -0.898  -0.707  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -4.891  -2.000   0.059  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -3.800  -2.604  -0.725  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -3.030  -2.790  -0.073  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -3.300  -1.655  -1.740  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.890   2.662  -0.876  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -4.292   3.015  -0.445  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -3.200   4.021  -0.289  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        3.249  -0.157   1.284  0.00  0.00    +0.146 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.014  -1.665   1.345  0.00  0.00    +0.026 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.126  -2.414   2.077  0.00  0.00    +0.030 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.452  -2.421   1.322  0.00  0.00    +0.159 C 
BRANCH  28  30
ATOM     29  C   LIG    1        7.647  -3.273   1.422  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        6.386  -3.195   2.074  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9