REMARK  Name = BDB008621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.185  -1.589   0.324  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        2.543  -2.642  -0.532  0.00  0.00    +0.110 A 
ATOM      3  C   LIG    1        1.606  -3.474  -1.137  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        2.369  -4.383  -1.902  0.00  0.00    +0.143 A 
ATOM      5  N   LIG    1        3.681  -4.163  -1.808  0.00  0.00    -0.179 NA
ATOM      6  C   LIG    1        0.235  -3.271  -0.900  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -0.172  -2.226  -0.054  0.00  0.00    -0.023 A 
ATOM      8  N   LIG    1        3.762  -3.104  -0.975  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1        5.062  -2.570  -0.641  0.00  0.00    +0.173 C 
ATOM     10  C   LIG    1        0.811  -1.413   0.549  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.640  -1.924   0.246  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -2.651  -3.011  -0.143  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.080  -0.600  -0.258  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -2.896   0.163   0.589  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.352  -0.300   1.641  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.214   1.617   0.184  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -2.885   2.512   1.268  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -4.043   2.930   1.995  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -5.015   3.688   1.074  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -5.213   3.079  -0.259  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.660   3.618  -0.927  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.697   1.698  -0.250  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.546  -0.098  -1.506  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -1.430  -0.911  -2.771  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.449   0.177  -2.686  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  O   LIG    1        3.183  -0.832   0.869  0.00  0.00    -0.490 OA
BRANCH  26  27
ATOM     27  C   LIG    1        2.795   0.309   1.637  0.00  0.00    +0.231 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.054   1.056   2.074  0.00  0.00    +0.069 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.801   1.679   0.896  0.00  0.00    +0.163 C 
BRANCH  29  31
ATOM     30  C   LIG    1        3.976   3.909   0.811  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        4.000   2.629   0.194  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9