REMARK  Name = BDB014447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.230   0.383   1.506  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.270   1.352   2.565  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.356   1.696   2.675  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.003  -0.532   1.657  0.00  0.00    +0.136 C 
BRANCH   4   7
ATOM      5  O   LIG    1        1.366   1.817   2.607  0.00  0.00    -0.273 OA
ATOM      6  C   LIG    1        1.858   1.147   1.703  0.00  0.00    +0.239 C 
ATOM      7  N   LIG    1        1.231   0.061   1.142  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        1.800  -0.474   0.490  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1        3.220   1.471   1.083  0.00  0.00    +0.255 C 
BRANCH   9  10
ATOM     10  O   LIG    1        3.597   0.493   0.111  0.00  0.00    -0.367 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.798   0.825  -0.594  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        4.862  -0.070  -1.831  0.00  0.00    +0.059 C 
ATOM     13  C   LIG    1        6.183   0.115  -2.558  0.00  0.00    +0.162 C 
ATOM     14  O   LIG    1        7.278  -0.141  -1.681  0.00  0.00    -0.380 OA
ATOM     15  C   LIG    1        7.303   0.749  -0.567  0.00  0.00    +0.162 C 
ATOM     16  C   LIG    1        6.040   0.606   0.270  0.00  0.00    +0.059 C 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -2.552  -0.417   1.572  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.705  -1.460   0.539  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -2.962  -0.905  -0.804  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -4.373  -0.409  -1.040  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -5.444  -0.875  -0.257  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.746  -0.428  -0.520  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.988   0.457  -1.570  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.932   0.906  -2.360  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.187  -1.799   0.907  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -4.632   0.473  -2.100  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.779  -2.412   0.876  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8