REMARK  Name = BDB032961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.752   2.148  -0.343  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -0.813   0.830  -0.815  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1        0.210  -0.028  -0.590  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1        1.315   0.384   0.086  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.433   1.688   0.556  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        0.389   2.582   0.338  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.369  -0.637   0.267  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        3.232  -0.634   1.377  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        4.219  -1.609   1.520  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1        4.378  -2.614   0.575  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        3.530  -2.645  -0.528  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        2.538  -1.670  -0.677  0.00  0.00    +0.010 A 
BRANCH   9  13
ATOM     13  O   LIG    1        5.020  -1.539   2.622  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1        5.637  -2.289   2.603  0.00  0.00    +0.292 HD
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     15  C   LIG    1       -3.315   4.840   0.296  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -2.178   3.962   0.411  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -1.852   3.734   1.341  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -1.850   3.105  -0.622  0.00  0.00    +0.247 C 
ATOM     19  O   LIG    1       -2.409   3.103  -1.714  0.00  0.00    -0.270 OA
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  N   LIG    1       -1.980   0.356  -1.435  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1       -2.332   1.082  -2.067  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -1.930  -0.953  -2.064  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.497  -1.981  -1.131  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -1.609  -2.803  -0.231  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -2.289  -3.450  -1.405  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6