REMARK  Name = BDB018827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.647   0.601   1.002  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.302   0.276   1.017  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.473  -0.472   0.156  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.817  -0.556   0.704  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.849  -1.231   0.052  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        1.577  -1.816  -1.187  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        0.295  -1.729  -1.742  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.886   0.131   2.033  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1       -0.734  -1.056  -1.073  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.467   0.830   2.093  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -3.094   1.407   1.830  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.177  -1.325   0.613  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        4.415  -0.799   0.180  0.00  0.00    +0.074 A 
ATOM     14  N   LIG    1        5.428  -1.145   0.978  0.00  0.00    -0.178 NA
ATOM     15  N   LIG    1        4.838  -1.891   1.927  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        5.420  -2.279   2.662  0.00  0.00    +0.188 HD
ATOM     17  C   LIG    1        3.491  -2.031   1.753  0.00  0.00    +0.113 A 
BRANCH  13  18
ATOM     18  C   LIG    1        4.612   0.080  -1.085  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1        5.438   1.338  -0.986  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1        3.951   1.434  -1.155  0.00  0.00    +0.010 C 
ENDBRANCH  13  18
ENDBRANCH   5  12
BRANCH   1  22
ATOM     21  N   LIG    1       -5.016  -0.057   0.413  0.00  0.00    -0.258 N 
ATOM     22  C   LIG    1       -3.584  -0.023  -0.036  0.00  0.00    +0.170 C 
ATOM     23  C   LIG    1       -3.630   0.824  -1.308  0.00  0.00    +0.034 C 
ATOM     24  C   LIG    1       -4.712   1.846  -1.008  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -5.758   1.051  -0.241  0.00  0.00    +0.117 C 
BRANCH  21  27
ATOM     26  N   LIG    1       -5.815  -1.312   2.417  0.00  0.00    -0.174 NA
ATOM     27  C   LIG    1       -5.445  -0.716   1.497  0.00  0.00    +0.170 C 
ENDBRANCH  21  27
ENDBRANCH   1  22
TORSDOF 4