REMARK  Name = BDB059051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.734  -2.973   0.089  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1       -3.413  -1.597  -0.030  0.00  0.00    +0.118 A 
ATOM      3  C   LIG    1       -2.035  -1.545  -0.057  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -1.372  -0.335  -0.160  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.150   0.763  -0.261  0.00  0.00    -0.205 NA
ATOM      6  C   LIG    1       -3.494   0.638  -0.234  0.00  0.00    +0.191 A 
ATOM      7  N   LIG    1       -1.624  -2.842   0.011  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1       -0.673  -3.192  -0.019  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -4.190  -0.500  -0.108  0.00  0.00    -0.218 NA
ATOM     10  N   LIG    1       -2.626  -3.735   0.122  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -5.318  -4.320   1.494  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -5.103  -3.583   0.171  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -5.382  -4.511  -1.014  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   4  14
ATOM     14  N   LIG    1        0.015  -0.245  -0.181  0.00  0.00    -0.323 N 
ATOM     15  H   LIG    1        0.477  -0.959   0.370  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.559   1.086   0.040  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.066   0.990   0.086  0.00  0.00    -0.030 A 
ATOM     18  C   LIG    1        2.751   1.036   1.304  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.145   0.917   1.337  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        4.901   0.748   0.163  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.196   0.688  -1.052  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.801   0.805  -1.092  0.00  0.00    +0.006 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.374   0.626   0.227  0.00  0.00    +0.071 A 
ATOM     24  N   LIG    1        6.869   0.048   1.353  0.00  0.00    -0.255 NA
ATOM     25  C   LIG    1        8.209  -0.090   1.459  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        9.105   0.327   0.493  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        8.597   0.926  -0.651  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.218   1.079  -0.788  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   6  29
ATOM     29  S   LIG    1       -4.468   2.125  -0.347  0.00  0.00    -0.085 S 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.273   3.216  -1.193  0.00  0.00    +0.092 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.906   4.566  -1.558  0.00  0.00    +0.089 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -4.386   5.331  -0.404  0.00  0.00    -0.329 NA
ATOM     33  H   LIG    1       -3.627   5.449   0.266  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -5.085   4.765   0.083  0.00  0.00    +0.118 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   6  29
TORSDOF 9