REMARK  Name = BDB025155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.368  -0.217  -1.258  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.372  -0.914  -0.552  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.554  -2.354  -0.238  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.654  -2.562   0.818  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.294  -3.073   0.270  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.068  -2.595  -0.472  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.942  -1.120  -0.228  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.692  -0.513   0.013  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.545  -1.097   0.099  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -1.402  -0.127   0.360  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -0.748   1.095   0.392  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.600   0.860   0.201  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.727   1.683   0.174  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.965   1.074  -0.072  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.096  -0.306  -0.282  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.321   0.956  -1.615  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.383   2.399   0.571  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -1.203   3.322  -0.642  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -2.026   4.607  -0.505  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -2.042   5.193   0.918  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -0.946   4.607   1.810  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -0.987   3.078   1.896  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.393   5.000   1.577  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.125   4.031   1.462  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.727   6.026   2.382  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.599   5.777   2.754  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.465  -0.362  -2.317  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.436  -1.014  -1.573  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.882  -0.283   0.567  0.00  0.00    +0.234 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -3.200  -1.657   0.802  0.00  0.00    -0.369 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -3.348  -2.436  -0.393  0.00  0.00    +0.123 C 
ATOM     32  C   LIG    1       -3.071  -3.900  -0.038  0.00  0.00    +0.059 C 
ATOM     33  C   LIG    1       -4.370  -4.616   0.296  0.00  0.00    +0.162 C 
ATOM     34  O   LIG    1       -5.280  -4.643  -0.807  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1       -5.220  -3.506  -1.668  0.00  0.00    +0.162 C 
ATOM     36  C   LIG    1       -4.763  -2.248  -0.951  0.00  0.00    +0.059 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7