REMARK  Name = BDB012160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.300   0.765  -0.281  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1        1.887   2.095  -0.944  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1        0.420   2.115  -1.355  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -0.431   1.724  -0.234  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -1.538   2.504   0.088  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.812   3.540  -0.518  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -0.099   0.471   0.441  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1        1.129  -0.217  -0.143  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1        7.199  -1.168   0.141  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        6.692  -1.310  -1.153  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1        5.419  -0.829  -1.378  0.00  0.00    +0.070 A 
ATOM     12  N   LIG    1        4.681  -0.847  -2.556  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1        4.959  -1.223  -3.447  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1        3.432  -0.257  -2.323  0.00  0.00    +0.328 A 
ATOM     15  N   LIG    1        3.420   0.142  -0.967  0.00  0.00    -0.289 N 
ATOM     16  O   LIG    1        2.544  -0.127  -3.148  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1        4.646  -0.223  -0.387  0.00  0.00    +0.070 A 
ATOM     18  C   LIG    1        5.127  -0.077   0.895  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        6.419  -0.557   1.150  0.00  0.00    +0.048 A 
BRANCH   9  21
ATOM     20  C   LIG    1        9.279  -2.188  -0.406  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        8.436  -1.578   0.564  0.00  0.00    -0.495 OA
ENDBRANCH   9  21
ENDBRANCH   1  15
BRANCH   5  22
ATOM     22  C   LIG    1       -2.373   2.043   1.278  0.00  0.00    +0.096 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.671   2.840   1.453  0.00  0.00    +0.017 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.718   2.542   0.376  0.00  0.00    +0.075 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.305   1.160   0.543  0.00  0.00    +0.110 A 
ATOM     26  N   LIG    1       -6.275   1.033   1.501  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1       -6.589   1.833   2.033  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -6.892  -0.156   1.793  0.00  0.00    +0.259 A 
ATOM     29  O   LIG    1       -7.758  -0.246   2.655  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -6.442  -1.315   1.004  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1       -5.443  -1.095   0.052  0.00  0.00    +0.078 A 
ATOM     32  C   LIG    1       -4.999  -2.177  -0.710  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1       -5.543  -3.451  -0.522  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -6.540  -3.655   0.434  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -6.994  -2.585   1.203  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1       -4.871   0.169  -0.165  0.00  0.00    -0.234 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 6