REMARK  Name = BDB027712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.948  -0.740  -0.481  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.906  -2.062  -0.958  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.338  -2.690  -0.886  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.393  -3.990  -1.366  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.645  -4.699  -1.884  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.832  -4.072  -1.920  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.430  -2.095  -0.386  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.286  -0.843   0.073  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1       -2.014  -2.775  -1.477  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.137  -0.149   0.039  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.474  -0.181   0.641  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.413   1.122   1.160  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        3.553   1.717   1.682  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        4.740   1.097   1.734  0.00  0.00    -0.241 NA
ATOM     15  C   LIG    1        4.801  -0.156   1.240  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1        3.719  -0.822   0.692  0.00  0.00    +0.031 A 
BRANCH  13  17
ATOM     17  N   LIG    1        3.501   3.002   2.216  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        4.449   3.241   2.494  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        3.124   3.665   1.550  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
ENDBRANCH   8  11
BRANCH   1  20
ATOM     20  N   LIG    1       -2.162  -0.036  -0.540  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -2.496  -0.063  -1.500  0.00  0.00    +0.148 HD
BRANCH  20  23
ATOM     22  C   LIG    1       -3.822   1.671  -0.166  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -2.333   1.309   0.042  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -1.488   2.359  -0.692  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -2.065   1.319   1.554  0.00  0.00    +0.031 C 
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4