REMARK  Name = BDB008549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.123  -0.600  -0.895  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.931  -0.189  -1.444  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.637  -1.136  -2.419  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.457  -1.002  -3.169  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -0.391   0.084  -2.914  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.087   1.043  -1.933  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        2.713  -2.060  -2.371  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        2.905  -3.274  -3.200  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1        1.092   0.904  -1.176  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        3.614  -1.730  -1.438  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.080   2.182  -1.678  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -0.411   3.549  -1.500  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.047   1.804  -0.615  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.206   1.147  -1.069  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.577   1.232  -2.249  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -4.002   0.205  -0.132  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.399   0.712   1.134  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -5.270  -0.185   1.837  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -5.058  -1.671   1.490  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -3.656  -1.969   1.170  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -3.093  -1.681   1.972  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.238  -1.136   0.017  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.569   1.720   0.753  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -1.001   2.903   1.508  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.321   2.345   1.904  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.860   0.055   0.172  0.00  0.00    +0.146 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.350  -0.323   1.563  0.00  0.00    +0.051 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.853  -1.691   2.022  0.00  0.00    +0.161 C 
BRANCH  28  30
ATOM     29  C   LIG    1        5.677  -1.272   3.491  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        5.270  -1.681   2.192  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8