REMARK  Name = BDB056132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.077   0.267  -0.321  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.187   0.048   0.175  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.308  -0.264   1.134  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -1.263   0.472  -1.521  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.206   0.371   0.739  0.00  0.00    +0.161 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -4.290  -0.095  -0.603  0.00  0.00    +0.230 C 
ATOM      7  N   LIG    1       -3.449   0.786   0.065  0.00  0.00    -0.302 N 
ATOM      8  H   LIG    1       -3.400   1.707  -0.351  0.00  0.00    +0.150 HD
ATOM      9  O   LIG    1       -4.178  -1.313  -0.517  0.00  0.00    -0.274 OA
BRANCH   6  10
ATOM     10  C   LIG    1       -5.386   0.633  -1.434  0.00  0.00    +0.137 C 
ATOM     11  C   LIG    1       -6.335   1.417  -0.527  0.00  0.00    +0.034 C 
BRANCH  10  13
ATOM     12  C   LIG    1       -6.991  -1.220  -1.763  0.00  0.00    +0.101 C 
ATOM     13  N   LIG    1       -6.085  -0.261  -2.383  0.00  0.00    -0.309 NA
ATOM     14  H   LIG    1       -6.615   0.304  -3.044  0.00  0.00    +0.122 HD
ENDBRANCH  10  13
ENDBRANCH   6  10
ENDBRANCH   5   7
BRANCH   5  15
ATOM     15  C   LIG    1       -2.379  -0.806   1.738  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -1.768  -0.465   3.105  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -1.833  -2.157   1.262  0.00  0.00    +0.009 C 
ENDBRANCH   5  15
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        1.320  -0.218  -0.713  0.00  0.00    +0.189 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.420  -0.900   0.121  0.00  0.00    +0.252 C 
ATOM     20  N   LIG    1        3.572  -1.196  -0.585  0.00  0.00    -0.235 N 
ATOM     21  H   LIG    1        3.748  -0.776  -1.498  0.00  0.00    +0.173 HD
ATOM     22  O   LIG    1        2.254  -1.202   1.307  0.00  0.00    -0.272 OA
BRANCH  20  23
ATOM     23  N   LIG    1        4.670  -1.703   0.134  0.00  0.00    -0.264 N 
ATOM     24  H   LIG    1        4.346  -2.101   1.025  0.00  0.00    +0.170 HD
BRANCH  23  25
ATOM     25  C   LIG    1        5.697  -0.751   0.375  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        6.444  -0.851   1.559  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        7.508   0.018   1.817  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.861   0.984   0.880  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.159   1.070  -0.320  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.096   0.199  -0.576  0.00  0.00    +0.024 A 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  18  19
BRANCH  18  31
ATOM     31  C   LIG    1        1.825   1.043  -1.448  0.00  0.00    +0.141 C 
ATOM     32  C   LIG    1        2.494   2.065  -0.535  0.00  0.00    +0.040 C 
BRANCH  31  33
ATOM     33  O   LIG    1        2.756   0.668  -2.476  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1        2.234   0.566  -3.296  0.00  0.00    +0.210 HD
ENDBRANCH  31  33
ENDBRANCH  18  31
ENDBRANCH   2  18
TORSDOF 11