REMARK  Name = BDB012376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.265  -2.324   0.167  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.648  -2.188  -0.032  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        3.256  -3.415  -0.059  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        2.275  -4.293   0.112  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        1.027  -3.682   0.256  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        3.452  -1.001  -0.198  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        4.802  -1.165  -0.321  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        5.590  -0.077  -0.443  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.103   1.211  -0.476  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.724   1.370  -0.382  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        2.884   0.264  -0.230  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        3.112   2.715  -0.390  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        2.215   3.038   0.368  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.623   3.521  -1.343  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.201   3.078  -1.992  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.448  -1.266   0.245  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.946  -1.543   0.436  0.00  0.00    +0.270 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.121  -0.268   0.167  0.00  0.00    +0.127 A 
ATOM     19  C   LIG    1       -1.750  -0.259   0.488  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -1.163   0.942   0.919  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -1.905   2.122   0.980  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.254   2.124   0.623  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -4.061   3.386   0.719  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -3.860   0.920   0.236  0.00  0.00    +0.049 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -5.016  -1.533  -0.551  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.641  -1.488  -0.188  0.00  0.00    -0.495 OA
ENDBRANCH  18  26
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7