REMARK  Name = BDB001055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.292   0.170   0.301  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.284   1.016   1.406  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.714   0.976   2.300  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.322   1.921   1.604  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.390   1.963   0.705  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.438   1.085  -0.390  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.373   0.195  -0.591  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        4.950   0.312  -0.390  0.00  0.00    -0.178 NA
ATOM      9  C   LIG    1        4.503  -0.929   0.326  0.00  0.00    +0.128 C 
ATOM     10  C   LIG    1        3.137  -1.425  -0.161  0.00  0.00    +0.125 C 
ATOM     11  N   LIG    1        2.096  -0.406  -0.013  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.774  -0.823   0.082  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1        0.429  -1.997  -0.042  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.542   0.989  -0.126  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        3.823   1.122  -0.959  0.00  0.00    +0.128 C 
BRANCH   8  16
ATOM     16  S   LIG    1        6.284   0.159  -1.431  0.00  0.00    +0.032 S 
ATOM     17  O   LIG    1        6.261  -1.170  -2.000  0.00  0.00    -0.158 OA
ATOM     18  O   LIG    1        6.302   1.330  -2.284  0.00  0.00    -0.158 OA
BRANCH  16  20
ATOM     19  C   LIG    1        7.841  -0.810   0.668  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        7.681   0.319  -0.324  0.00  0.00    +0.182 C 
ENDBRANCH  16  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -3.600   1.113  -1.359  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.959   1.025  -0.675  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -5.460  -0.282  -0.175  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -6.704  -0.287   0.453  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -7.247  -1.476   0.956  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -6.538  -2.669   0.829  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.294  -2.672   0.202  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.448   0.976   0.585  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -8.546   1.020   1.129  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -6.840   2.092   0.064  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -7.342   2.972   0.143  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -4.753  -1.484  -0.302  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -5.629   2.134  -0.549  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 5