REMARK  Name = BDB059128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.187  -2.337  -0.614  0.00  0.00    +0.022 C 
ATOM      2  C   LIG    1       -0.353  -1.716  -2.004  0.00  0.00    +0.148 C 
ATOM      3  C   LIG    1       -1.503  -0.718  -1.843  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -2.499  -1.496  -0.973  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1       -1.646  -2.433  -0.097  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -3.417  -0.645  -0.233  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1       -3.077   0.301   0.706  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1       -4.248   0.885   1.172  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -4.113   1.877   2.153  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1       -2.879   2.205   2.582  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -1.827   1.553   2.052  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1       -5.324   0.266   0.478  0.00  0.00    +0.032 A 
ATOM     13  N   LIG    1       -1.830   0.602   1.103  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -4.785  -0.666  -0.383  0.00  0.00    +0.089 A 
BRANCH   9  15
ATOM     15  N   LIG    1       -5.183   2.562   2.707  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.872   3.404   3.176  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -5.996   2.646   2.114  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1       -0.745  -2.738  -2.928  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.146  -2.256  -3.681  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -2.042  -0.391  -3.127  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -2.755   0.257  -2.976  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1        0.684  -1.503   0.347  0.00  0.00    +0.006 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.187  -1.809   0.282  0.00  0.00    +0.001 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.942  -1.336  -0.963  0.00  0.00    +0.006 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.869   0.170  -1.245  0.00  0.00    +0.055 C 
BRANCH  25  28
ATOM     26  C   LIG    1        5.281   1.614   1.127  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        4.753   0.864   0.146  0.00  0.00    -0.237 NA
ATOM     28  C   LIG    1        3.437   1.022  -0.139  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        2.630   1.933   0.537  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        3.193   2.696   1.552  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.540   2.531   1.856  0.00  0.00    +0.043 A 
BRANCH  26  32
ATOM     32  N   LIG    1        6.629   1.407   1.409  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        6.964   0.729   0.729  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        7.152   2.273   1.367  0.00  0.00    +0.144 HD
ENDBRANCH  26  32
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 10