REMARK  Name = BDB022138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.364  -0.800  -1.295  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1       -0.051  -0.527  -0.940  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1        0.549  -1.756  -0.675  0.00  0.00    -0.199 N 
ATOM      4  N   LIG    1       -0.335  -2.785  -0.886  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -1.460  -2.196  -1.284  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.902  -2.038  -0.243  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        2.790  -1.026  -0.167  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1        4.038  -1.325   0.257  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1        4.428  -2.606   0.587  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        3.465  -3.574   0.462  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        2.212  -3.322   0.052  0.00  0.00    -0.219 NA
BRANCH   8  12
ATOM     12  C   LIG    1        4.948  -0.171   0.298  0.00  0.00    +0.038 A 
ATOM     13  S   LIG    1        6.201  -0.064   1.470  0.00  0.00    -0.095 S 
ATOM     14  C   LIG    1        6.726   1.452   0.883  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.968   1.884  -0.180  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        4.943   0.952  -0.512  0.00  0.00    +0.017 A 
ENDBRANCH   8  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     17  N   LIG    1       -3.105   0.760  -0.624  0.00  0.00    -0.290 N 
ATOM     18  C   LIG    1       -2.383   0.163  -1.657  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1       -2.561   0.440  -2.841  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.970   0.406   0.790  0.00  0.00    +0.135 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -3.420  -1.931   1.606  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -3.855  -0.760   1.119  0.00  0.00    -0.016 C 
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  17  23
ATOM     23  C   LIG    1       -4.078   1.786  -0.979  0.00  0.00    +0.135 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.422   1.164  -1.205  0.00  0.00    -0.016 C 
ATOM     25  C   LIG    1       -6.528   1.462  -0.510  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  18
BRANCH   2  26
ATOM     26  C   LIG    1        0.617   0.789  -0.813  0.00  0.00    +0.215 C 
BRANCH  26  27
ATOM     27  O   LIG    1        0.577   1.110   0.572  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        1.284   2.310   0.850  0.00  0.00    +0.194 C 
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 9