REMARK  Name = BDB030201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.280  -1.710  -2.791  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.325  -2.609  -2.700  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        2.009  -2.503  -3.452  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.086  -1.062  -3.816  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.760   0.091  -0.184  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -0.957  -0.181  -1.302  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -0.593  -1.497  -1.620  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -1.068  -2.554  -0.847  0.00  0.00    +0.138 A 
ATOM      9  F   LIG    1       -0.776  -3.824  -1.172  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -1.865  -2.315   0.275  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -2.390  -3.460   1.087  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -2.206  -0.992   0.595  0.00  0.00    +0.014 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -3.846   4.486  -1.431  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -3.151   3.614  -0.427  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -2.796   2.296  -0.753  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -2.121   1.473   0.164  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -1.792   2.008   1.419  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -2.126   3.322   1.748  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.800   4.123   0.827  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.923  -2.947  -1.333  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        1.764  -3.929  -1.075  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.571  -2.559  -1.149  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1        3.901  -1.548  -2.129  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        4.270  -3.825  -1.115  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.610  -1.851   0.493  0.00  0.00    +0.191 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.573  -0.766   0.741  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1        2.632  -0.236   2.166  0.00  0.00    +0.086 C 
ATOM     28  N   LIG    1        1.832   0.980   2.072  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        2.013   1.606   2.855  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        2.196   1.619   0.804  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        2.746   0.506  -0.084  0.00  0.00    +0.021 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6