REMARK  Name = BDB012348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.089  -0.018  -1.561  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -1.106   0.937  -1.726  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -0.843   1.740  -2.804  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.323   1.319  -3.278  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.837   0.240  -2.554  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.306   1.165  -0.957  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -3.143   2.157  -1.381  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -4.272   2.402  -0.689  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -4.635   1.702   0.440  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -3.781   0.693   0.876  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -2.602   0.415   0.175  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -4.165  -0.059   2.094  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -5.178   0.113   2.744  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -3.259  -0.990   2.442  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -3.643  -1.399   3.247  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.131  -0.941  -0.590  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.960  -1.861  -0.495  0.00  0.00    +0.266 C 
BRANCH  17  20
ATOM     18  C   LIG    1        4.556  -1.011   0.477  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        3.452  -1.534  -0.209  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.147  -1.275   0.237  0.00  0.00    -0.009 A 
ATOM     21  C   LIG    1        1.969  -0.504   1.395  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.067   0.018   2.080  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.360  -0.233   1.621  0.00  0.00    +0.019 A 
BRANCH  18  25
ATOM     24  N   LIG    1        6.956  -1.496  -0.381  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        5.884  -1.276   0.006  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7