REMARK  Name = BDB012163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.523  -2.143   0.290  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.902  -1.532  -0.579  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.483  -1.612  -0.690  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        1.259  -0.979  -1.758  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        2.622  -1.639  -1.938  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        3.446  -1.617  -0.640  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        2.568  -1.711   0.618  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        1.222  -2.360   0.326  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.306  -0.402  -0.572  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        5.543  -0.539  -0.003  0.00  0.00    -0.419 OA
ATOM     11  C   LIG    1        6.040   0.742  -0.097  0.00  0.00    +0.267 A 
ATOM     12  N   LIG    1        5.180   1.565  -0.668  0.00  0.00    -0.106 NA
ATOM     13  N   LIG    1        4.056   0.825  -0.972  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        7.384   0.975   0.428  0.00  0.00    +0.127 A 
ATOM     15  N   LIG    1        7.849   2.244   0.301  0.00  0.00    -0.250 NA
ATOM     16  C   LIG    1        9.087   2.507   0.773  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        9.899   1.561   1.373  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        9.413   0.265   1.499  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        8.139  -0.036   1.021  0.00  0.00    +0.033 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1       -1.618  -0.660  -1.602  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.099  -0.432  -1.290  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.311   0.505  -0.099  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.780   0.807   0.086  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1       -5.316   1.718  -0.785  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -4.746   2.164  -1.488  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -6.635   2.095  -0.762  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -7.090   2.915  -1.550  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -7.462   1.448   0.270  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -6.834   0.528   1.113  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -7.596  -0.100   2.099  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -8.957   0.188   2.238  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -9.570   1.110   1.388  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -8.823   1.746   0.398  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -5.469   0.213   1.004  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6