REMARK  Name = BDB012663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.499  -0.779  -0.258  0.00  0.00    -0.260 N 
ATOM      2  C   LIG    1        1.349  -1.373   0.968  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        0.006  -1.191   1.289  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -0.475  -1.703   2.512  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.406  -2.373   3.368  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.746  -2.537   3.023  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.552  -0.469   0.187  0.00  0.00    +0.153 A 
ATOM      8  C   LIG    1        2.246  -2.040   1.816  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        0.375  -0.219  -0.739  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -1.859  -0.109   0.157  0.00  0.00    -0.296 N 
ATOM     11  H   LIG    1       -2.436  -0.383   0.954  0.00  0.00    +0.154 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -2.627   0.594  -0.798  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -3.997   0.864  -0.598  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -4.733   1.569  -1.563  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1       -4.091   1.992  -2.708  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -2.790   1.761  -2.947  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -2.098   1.075  -1.998  0.00  0.00    +0.134 A 
BRANCH  13  18
ATOM     18  C   LIG    1       -4.771   0.449   0.604  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1       -5.950   0.681   0.799  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -4.060  -0.240   1.520  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1       -4.731  -0.420   2.216  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  22
ATOM     22  C   LIG    1        2.715  -0.681  -1.038  0.00  0.00    +0.172 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.395   0.667  -0.852  0.00  0.00    +0.182 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.320   1.899  -1.433  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1        4.658   0.643  -1.523  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7