REMARK  Name = BDB014560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.705   1.524  -2.942  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.353   0.963  -2.062  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.169  -0.356  -1.715  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.528  -0.622  -0.803  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.038  -1.127  -2.206  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.238  -0.824  -1.401  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.967  -1.120  -0.024  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.692  -0.713   0.483  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.417  -1.675  -1.935  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.716  -1.553  -1.261  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.819  -2.233   0.035  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.096  -1.320   1.210  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.955  -0.223   1.026  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -5.288   0.597   2.103  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.750   0.335   3.364  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.893  -0.749   3.551  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.482   0.008  -0.364  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -3.574  -1.582   2.481  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.344  -0.232  -1.367  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.437   1.689  -1.259  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.977   0.829  -0.250  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.079   1.347   0.385  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        5.222   0.523   0.493  0.00  0.00    +0.045 A 
ATOM     24  C   LIG    1        6.343   0.993   1.200  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        7.449   0.151   1.289  0.00  0.00    +0.143 A 
ATOM     26  N   LIG    1        7.496  -1.077   0.727  0.00  0.00    -0.157 NA
ATOM     27  N   LIG    1        6.423  -1.532   0.035  0.00  0.00    -0.157 NA
ATOM     28  C   LIG    1        6.313   2.273   1.784  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        5.174   3.072   1.680  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.324  -0.751  -0.070  0.00  0.00    +0.147 A 
ATOM     31  C   LIG    1        4.056   2.609   0.987  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8