REMARK  Name = BDB061996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.506  -0.172  -0.471  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -1.420  -0.770  -1.734  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.178  -1.031  -2.320  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.006  -0.691  -1.665  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.933  -0.092  -0.409  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.313   0.167   0.183  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.349   0.539   0.245  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -4.957   0.382   0.391  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1       -4.395   0.484   1.659  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1       -3.053   0.287   1.456  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1       -2.350   0.270   2.179  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1       -2.826   0.083   0.114  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1       -5.139   0.732   2.815  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -6.520   0.884   2.657  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1       -3.970   0.127  -0.545  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -7.118   0.790   1.398  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -6.237   0.213  -2.163  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -6.667   0.153  -3.074  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -5.229   0.111  -2.073  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -7.022   0.448  -1.071  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -8.235   0.580  -1.182  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  O   LIG    1        2.143  -1.007  -2.350  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.401  -0.541  -1.861  0.00  0.00    +0.229 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.017  -1.565  -0.908  0.00  0.00    +0.041 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.436  -1.212  -0.463  0.00  0.00    +0.013 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.508   0.049   0.396  0.00  0.00    +0.098 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.904   0.291   0.935  0.00  0.00    +0.235 C 
ATOM     28  N   LIG    1        6.990   1.400   1.748  0.00  0.00    -0.197 N 
ATOM     29  H   LIG    1        6.352   2.183   1.649  0.00  0.00    +0.182 HD
ATOM     30  O   LIG    1        7.879  -0.415   0.692  0.00  0.00    -0.274 OA
BRANCH  28  31
ATOM     31  O   LIG    1        8.305   1.732   2.158  0.00  0.00    -0.295 OA
ATOM     32  H   LIG    1        8.839   1.001   1.772  0.00  0.00    +0.241 HD
ENDBRANCH  28  31
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9