REMARK  Name = BDB023417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.844   0.833   1.123  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.132   0.094   1.807  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.374   0.665   2.139  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1       -1.629   1.992   1.770  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.659   2.739   1.104  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.574   2.165   0.790  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.343  -0.986   0.361  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1        2.161   0.273   0.791  0.00  0.00    +0.013 C 
BRANCH   7  11
ATOM      9  N   LIG    1        4.545  -0.698  -0.549  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        4.226   0.235  -0.790  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        3.677  -1.570   0.054  0.00  0.00    +0.241 C 
ATOM     12  O   LIG    1        3.862  -2.756   0.300  0.00  0.00    -0.270 OA
BRANCH   9  14
ATOM     13  C   LIG    1        6.524   0.143  -1.597  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        5.884  -0.924  -0.930  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        6.587  -2.098  -0.663  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        7.913  -2.228  -1.083  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        8.535  -1.193  -1.780  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        7.836  -0.016  -2.053  0.00  0.00    +0.024 A 
BRANCH  13  19
ATOM     19  N   LIG    1        5.761   1.272  -2.006  0.00  0.00    -0.357 N 
ATOM     20  H   LIG    1        5.261   1.032  -2.863  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1        6.369   2.065  -2.202  0.00  0.00    +0.142 HD
ENDBRANCH  13  19
ENDBRANCH   9  14
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1       -2.424  -0.153   2.854  0.00  0.00    +0.137 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.242  -0.892   1.896  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1       -2.656  -1.392   1.232  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.336  -0.293   1.268  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -4.743  -0.776   0.017  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1       -5.871  -0.256  -0.649  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.644   0.754  -0.047  0.00  0.00    +0.071 A 
ATOM     29  N   LIG    1       -7.729   1.286  -0.640  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1       -8.076   0.817  -1.859  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -7.385  -0.174  -2.530  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -6.265   1.195   1.210  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -6.265  -0.718  -1.912  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1       -5.141   0.675   1.869  0.00  0.00    +0.025 A 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7