REMARK  Name = BDB063530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.429  -1.527  -1.006  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1       -0.084  -0.090  -1.129  0.00  0.00    +0.023 C 
ATOM      3  C   LIG    1       -1.611  -0.017  -1.033  0.00  0.00    +0.013 C 
ATOM      4  C   LIG    1       -2.230  -1.149  -0.194  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -1.272  -1.599   0.914  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1        0.047  -2.136   0.350  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.552  -0.724   0.369  0.00  0.00    +0.111 A 
ATOM      8  N   LIG    1       -4.747  -1.113  -0.188  0.00  0.00    -0.342 N 
ATOM      9  H   LIG    1       -4.857  -1.703  -0.999  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -5.765  -0.558   0.545  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -5.116   0.164   1.538  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1       -5.877   0.871   2.480  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -7.274   0.823   2.387  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -7.899   0.088   1.376  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.155  -0.623   0.427  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -3.753   0.053   1.414  0.00  0.00    -0.232 NA
ENDBRANCH   4   7
BRANCH   1  19
ATOM     17  O   LIG    1        1.810  -1.651  -3.508  0.00  0.00    -0.274 OA
ATOM     18  C   LIG    1        2.438  -1.548  -2.459  0.00  0.00    +0.227 C 
ATOM     19  N   LIG    1        1.864  -1.591  -1.204  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        2.488  -1.269  -0.465  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     21  C   LIG    1        3.964  -1.408  -2.416  0.00  0.00    +0.177 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.391  -0.599  -1.253  0.00  0.00    -0.304 NA
ATOM     23  H   LIG    1        5.393  -0.731  -1.115  0.00  0.00    +0.123 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.160   0.830  -1.495  0.00  0.00    +0.116 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.573   1.637  -0.288  0.00  0.00    -0.034 A 
ATOM     26  C   LIG    1        3.706   1.770   0.806  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        4.090   2.502   1.930  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.347   3.103   1.975  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.221   2.970   0.898  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.839   2.238  -0.228  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  19
TORSDOF 6