REMARK  Name = BDB022141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.125   0.865   0.243  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1       -0.288   0.135  -0.594  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.629  -0.826  -1.677  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1        1.019   0.505  -0.265  0.00  0.00    -0.202 N 
ATOM      5  N   LIG    1        1.024   1.485   0.690  0.00  0.00    -0.171 NA
ATOM      6  C   LIG    1       -0.260   1.710   0.956  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.263  -0.018  -0.788  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1        3.414   0.523  -0.341  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1        4.574   0.034  -0.830  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        4.629  -1.027  -1.719  0.00  0.00    -0.006 A 
ATOM     11  C   LIG    1        5.884  -1.635  -2.251  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.397  -1.503  -2.121  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1        2.217  -1.028  -1.681  0.00  0.00    -0.219 NA
BRANCH   9  14
ATOM     14  C   LIG    1        5.745   0.725  -0.281  0.00  0.00    +0.038 A 
ATOM     15  S   LIG    1        6.899   1.467  -1.312  0.00  0.00    -0.095 S 
ATOM     16  C   LIG    1        7.828   2.026   0.010  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        7.261   1.688   1.218  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        6.053   0.952   1.049  0.00  0.00    +0.017 A 
ENDBRANCH   9  14
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  N   LIG    1       -3.227  -0.356   0.510  0.00  0.00    -0.300 N 
ATOM     20  C   LIG    1       -2.576   0.866   0.311  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1       -3.192   1.923   0.199  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1       -2.583  -1.567   1.002  0.00  0.00    +0.132 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.685  -0.378   0.414  0.00  0.00    +0.108 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.361   0.004   1.734  0.00  0.00    +0.019 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -7.537   0.881   0.733  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -6.886  -0.109   1.685  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6