REMARK  Name = BDB058611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.537  -1.313   0.195  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -3.716  -0.749  -0.248  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1       -4.713  -1.057   0.661  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1       -4.191  -1.806   1.683  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1       -2.903  -1.955   1.389  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -6.115  -0.717   0.671  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -6.716   0.044  -0.343  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -8.092   0.289  -0.188  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -8.782   1.083  -1.222  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1       -8.003   1.515  -2.260  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1       -8.467   2.059  -2.973  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -6.675   1.240  -2.340  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1       -9.978   1.340  -1.159  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -8.824  -0.187   0.898  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -8.146  -0.922   1.837  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -6.026   0.554  -1.465  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1       -6.831  -1.190   1.746  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.190  -1.257  -0.442  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.329  -0.115   0.130  0.00  0.00    +0.089 C 
BRANCH  19  23
ATOM     20  C   LIG    1        3.824   0.549   0.346  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1        3.037   1.382  -0.679  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1        1.546   1.337  -0.357  0.00  0.00    +0.085 C 
ATOM     23  N   LIG    1        0.991  -0.015  -0.518  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        1.918  -1.087  -0.129  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        3.011  -0.658   0.852  0.00  0.00    +0.023 C 
BRANCH  20  28
ATOM     26  C   LIG    1        7.630   0.255   0.090  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        6.349   0.603   0.528  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.204   0.162  -0.162  0.00  0.00    -0.041 A 
ATOM     29  C   LIG    1        5.372  -0.638  -1.301  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.648  -0.987  -1.742  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.771  -0.541  -1.047  0.00  0.00    +0.045 A 
BRANCH  26  33
ATOM     32  C   LIG    1        8.726   1.436   1.840  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        8.810   0.623   0.677  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  20  28
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6