REMARK  Name = BDB013961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.753  -0.686  -0.098  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.153   0.091   0.847  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.323   1.041   1.487  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.487  -0.292   0.986  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1       -2.145  -1.411   0.340  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.522  -2.589  -0.134  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.317  -3.593  -0.759  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.691  -3.471  -0.916  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.311  -2.335  -0.445  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.072  -3.010  -0.036  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.550  -1.335   0.169  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.942  -2.050   0.533  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.966  -0.281  -1.174  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.021   0.022  -0.222  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.304   0.656   0.526  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.788  -1.137  -2.036  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.232   0.607  -1.081  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.383  -0.029  -1.857  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.480   1.926   0.555  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.556   0.820   0.351  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.961  -0.038   0.729  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.275   0.553   1.915  0.00  0.00    +0.169 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.976   1.752   1.292  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1       -4.325   1.823   1.462  0.00  0.00    -0.258 NA
ATOM     25  C   LIG    1       -4.973   2.885   0.933  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -4.344   3.902   0.238  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -2.968   3.828   0.080  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -2.272   2.745   0.614  0.00  0.00    +0.025 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5