REMARK  Name = BDB049542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.534  -2.836  -2.328  0.00  0.00    +0.072 C 
ATOM      2  C   LIG    1        0.067  -3.488  -1.253  0.00  0.00    +0.072 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.432  -3.122   0.128  0.00  0.00    +0.240 C 
ATOM      4  N   LIG    1       -0.549  -2.540   0.908  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -1.804  -1.995   0.385  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -1.671  -0.482   0.202  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -1.224   0.228   1.500  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        0.027  -0.471   2.080  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1       -0.154  -1.986   2.199  0.00  0.00    +0.108 C 
ATOM     10  O   LIG    1        1.588  -3.332   0.493  0.00  0.00    -0.271 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.343   0.311   2.565  0.00  0.00    +0.038 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.549   1.112   2.132  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -3.444   2.490   1.900  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -4.558   3.228   1.497  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.788   2.598   1.327  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.906   1.229   1.562  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.793   0.489   1.964  0.00  0.00    +0.003 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   1  20
ATOM     18  N   LIG    1        2.389  -1.569  -1.413  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        2.465  -2.357  -0.769  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        1.412  -1.632  -2.373  0.00  0.00    +0.241 C 
ATOM     21  O   LIG    1        1.221  -0.833  -3.285  0.00  0.00    -0.270 OA
BRANCH  18  24
ATOM     22  C   LIG    1        4.264   1.671  -1.607  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        3.324   0.673  -1.907  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1        3.302  -0.519  -1.178  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        4.217  -0.697  -0.133  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        5.146   0.296   0.179  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.168   1.479  -0.556  0.00  0.00    +0.013 A 
BRANCH  22  31
ATOM     28  N   LIG    1        3.724   3.009  -3.585  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        3.418   2.188  -4.087  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        3.865   3.857  -4.119  0.00  0.00    +0.145 HD
ATOM     31  C   LIG    1        4.325   2.955  -2.358  0.00  0.00    +0.242 C 
ATOM     32  O   LIG    1        4.916   3.931  -1.912  0.00  0.00    -0.270 OA
ENDBRANCH  22  31
ENDBRANCH  18  24
ENDBRANCH   1  20
TORSDOF 6