REMARK  Name = BDB022142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.054  -1.655  -1.912  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        1.063  -1.205  -1.229  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        2.059  -0.981  -2.174  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        1.654  -1.401  -3.413  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        0.401  -1.815  -3.234  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  10
ATOM      6  N   LIG    1       -3.547   0.751   1.150  0.00  0.00    -0.297 NA
ATOM      7  C   LIG    1       -3.692  -0.710   1.250  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -3.293  -1.519  -0.001  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -2.010  -1.100  -0.559  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -1.369  -2.007  -1.409  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -1.883  -3.077  -1.728  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -1.865   0.349  -0.721  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -2.252   1.115   0.554  0.00  0.00    +0.103 C 
BRANCH   6  15
ATOM     14  C   LIG    1       -5.732   1.651   1.774  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -4.699   1.510   0.645  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1       -5.389   0.976  -0.612  0.00  0.00    +0.024 C 
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   3  17
ATOM     17  C   LIG    1        3.356  -0.381  -1.974  0.00  0.00    +0.252 A 
ATOM     18  N   LIG    1        3.655   0.121  -0.757  0.00  0.00    -0.210 NA
ATOM     19  C   LIG    1        4.878   0.675  -0.593  0.00  0.00    +0.083 A 
ATOM     20  C   LIG    1        5.795   0.757  -1.620  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        5.398   0.237  -2.826  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1        4.199  -0.328  -3.030  0.00  0.00    -0.219 NA
BRANCH  19  23
ATOM     23  C   LIG    1        5.120   1.189   0.767  0.00  0.00    +0.038 A 
ATOM     24  S   LIG    1        6.708   1.516   1.343  0.00  0.00    -0.095 S 
ATOM     25  C   LIG    1        6.141   2.016   2.873  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.772   1.938   2.966  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        4.188   1.461   1.757  0.00  0.00    +0.017 A 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   2  28
ATOM     28  C   LIG    1        1.175  -1.005   0.314  0.00  0.00    +0.039 C 
ATOM     29  C   LIG    1        0.629  -2.053   1.252  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        2.109  -1.899   1.091  0.00  0.00    +0.010 C 
ENDBRANCH   2  28
TORSDOF 5