REMARK  Name = BDB007642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.310   0.645  -1.002  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.676   1.539  -0.019  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.094   1.642   0.802  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.050   0.313  -1.921  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.400   0.188  -0.201  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -2.118   0.755  -0.316  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.044   0.044  -0.874  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -1.240  -1.255  -1.339  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.490  -1.847  -1.203  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.548  -1.135  -0.623  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.382   0.943   0.423  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1       -4.219   1.942   0.318  0.00  0.00    +0.146 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -8.734  -0.169  -1.820  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -8.011   0.158  -0.520  0.00  0.00    +0.117 C 
ATOM     15  O   LIG    1       -8.148  -0.968   0.353  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1       -7.590  -0.732   1.645  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -6.090  -0.492   1.551  0.00  0.00    +0.050 C 
ATOM     18  C   LIG    1       -5.810   0.637   0.562  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -6.531   0.453  -0.772  0.00  0.00    +0.053 C 
ENDBRANCH  11  18
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1        1.985   2.165   0.000  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.001   1.477   0.934  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        4.092   2.398   1.110  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        4.717   2.256   0.375  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        3.494   0.118   0.372  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.215  -0.754   1.330  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        5.438  -0.172   1.907  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.587  -0.053   0.931  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.697  -0.945  -0.152  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.791  -0.850  -1.021  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.779   0.112  -0.807  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.679   0.987   0.273  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.606  -1.955  -0.420  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.591   0.903   1.142  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.566  -2.048   0.711  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8