REMARK  Name = BDB012289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.037  -1.342   1.751  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        1.351  -1.345   1.278  0.00  0.00    -0.214 N 
ATOM      3  N   LIG    1        2.060  -2.391   1.804  0.00  0.00    -0.173 NA
ATOM      4  C   LIG    1        1.204  -3.016   2.607  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1       -0.059  -2.416   2.616  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -2.814   0.322  -0.063  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -3.039   1.442   0.759  0.00  0.00    -0.009 A 
ATOM      8  C   LIG    1       -4.122   2.432   0.430  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -2.245   1.634   1.899  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.235   0.727   2.220  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.004  -0.382   1.402  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.801  -0.585   0.267  0.00  0.00    +0.056 A 
BRANCH   6  14
ATOM     13  C   LIG    1       -3.433  -0.897  -2.018  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -3.638   0.213  -1.154  0.00  0.00    -0.495 OA
ENDBRANCH   6  14
ENDBRANCH   1  11
BRANCH   2  15
ATOM     15  C   LIG    1        1.979  -0.435   0.361  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1        1.248   0.574  -0.182  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        1.857   1.430  -1.029  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1        3.181   1.322  -1.397  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        3.913   0.270  -0.853  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1        3.323  -0.615   0.049  0.00  0.00    +0.063 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.341   0.092  -1.185  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        6.195  -0.141  -0.350  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        5.584   0.188  -2.508  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        4.789   0.201  -3.073  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   2  15
TORSDOF 5