REMARK  Name = BDB001035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.061   0.060  -2.973  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        5.190   0.239  -2.129  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        5.475   0.933  -0.835  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        4.437   1.113   0.105  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1        4.717   1.764   1.310  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        6.010   2.227   1.573  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        7.031   2.046   0.639  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.111   0.606  -0.229  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        1.859   0.677   0.601  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        0.879  -0.018  -0.310  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        1.525  -0.416  -1.498  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        0.831  -1.070  -2.499  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -0.526  -1.327  -2.296  0.00  0.00    +0.150 A 
ATOM     14  F   LIG    1       -1.202  -1.939  -3.277  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1       -1.166  -0.938  -1.114  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1       -0.467  -0.269  -0.101  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        2.914  -0.008  -1.404  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        6.766   1.399  -0.567  0.00  0.00    +0.014 A 
ATOM     19  N   LIG    1        3.893  -0.194  -2.325  0.00  0.00    -0.321 N 
ATOM     20  H   LIG    1        3.705  -0.661  -3.201  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  15  21
ATOM     21  S   LIG    1       -2.878  -1.317  -0.925  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -3.122  -2.647  -1.442  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -3.619  -0.161  -1.381  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  N   LIG    1       -3.024  -1.501   0.794  0.00  0.00    -0.122 NA
ATOM     25  H   LIG    1       -3.011  -2.511   0.984  0.00  0.00    +0.168 HD
BRANCH  24  26
ATOM     26  N   LIG    1       -4.178  -0.916   1.353  0.00  0.00    -0.219 NA
ATOM     27  C   LIG    1       -4.099   0.520   1.634  0.00  0.00    +0.132 C 
ATOM     28  C   LIG    1       -5.387   0.983   2.329  0.00  0.00    +0.176 C 
ATOM     29  O   LIG    1       -6.587   0.738   1.585  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -6.415  -0.184   0.503  0.00  0.00    +0.176 C 
ATOM     31  C   LIG    1       -5.493  -1.360   0.863  0.00  0.00    +0.132 C 
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  15  21
TORSDOF 3