REMARK  Name = BDB024612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.998  -0.429  -0.447  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.732  -1.030  -0.583  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.774  -2.476  -0.873  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.212  -3.272   0.368  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.467  -3.016  -1.448  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.317  -2.682  -0.523  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.274  -1.200  -0.290  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.036  -0.576  -0.009  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.207  -1.145   0.132  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.043  -0.155   0.368  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -0.370   1.047   0.393  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.961   0.799   0.145  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        2.076   1.622   0.017  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.303   0.992  -0.241  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.449  -0.403  -0.350  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        7.038  -0.960  -0.833  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        7.304   1.325   0.409  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.008   0.759   0.219  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -0.950   2.357   0.640  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.374   3.047  -0.666  0.00  0.00    +0.105 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.026   4.362  -0.545  0.00  0.00    -0.307 NA
ATOM     22  C   LIG    1       -1.162   5.374   0.056  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -3.316   4.297   0.135  0.00  0.00    +0.104 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  24
ATOM     24  C   LIG    1       -2.521  -0.298   0.575  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.079  -1.601  -0.023  0.00  0.00    +0.135 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.533  -1.805   0.383  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -5.545  -0.932  -0.050  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -6.870  -1.129   0.343  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.200  -2.198   1.173  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.207  -3.072   1.609  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.882  -2.878   1.217  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -2.910  -1.682  -1.532  0.00  0.00    +0.313 C 
ATOM     33  O   LIG    1       -2.837  -2.708  -2.193  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -2.932  -0.489  -2.165  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -2.815  -0.743  -3.106  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 9