REMARK  Name = BDB014578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.260   0.966   1.077  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.026   1.343  -0.068  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        1.014   1.484  -1.023  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.751   1.533  -2.002  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.372   1.028  -0.764  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.332   1.563  -1.829  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        2.921   1.047  -3.111  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        3.391   0.189  -3.185  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        4.812   1.194  -1.590  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        5.054  -0.248  -1.829  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        5.141  -1.016  -0.566  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        6.439  -0.859   0.198  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        7.614  -0.435  -0.448  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        8.808  -0.329   0.279  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        8.842  -0.662   1.632  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.684  -1.099   2.271  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.580  -0.038  -1.901  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        6.490  -1.201   1.558  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        6.289  -0.486  -2.604  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       -1.375   1.697  -0.583  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.434   1.573   0.353  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.981   0.336   0.533  0.00  0.00    +0.140 A 
ATOM     23  C   LIG    1       -4.183   0.311   1.238  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -4.842  -0.901   1.476  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1       -4.243  -2.058   0.991  0.00  0.00    +0.115 A 
ATOM     26  N   LIG    1       -3.076  -2.079   0.309  0.00  0.00    -0.259 NA
ATOM     27  C   LIG    1       -2.469  -0.883   0.108  0.00  0.00    +0.156 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.135  -0.957   2.248  0.00  0.00    +0.121 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -7.203  -0.138   1.652  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1       -7.684  -0.709   0.373  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -8.856   0.106  -0.196  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -9.944   0.169   0.736  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -9.502   0.769   1.960  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -8.347  -0.031   2.582  0.00  0.00    +0.113 C 
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10