REMARK  Name = BDB007102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.468   0.131  -1.168  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.501   0.874  -1.859  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.843   0.847  -1.430  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        3.019   1.480  -1.896  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        4.051   1.092  -1.079  0.00  0.00    +0.095 A 
ATOM      6  N   LIG    1        3.575   0.211  -0.118  0.00  0.00    -0.283 N 
ATOM      7  C   LIG    1        4.355  -0.399   0.897  0.00  0.00    +0.263 C 
ATOM      8  O   LIG    1        3.772  -0.967   1.819  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        2.196   0.070  -0.321  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        1.231  -0.696   0.362  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -0.098  -0.657  -0.077  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        5.837  -0.383   0.938  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        6.473  -0.068   2.143  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        7.867  -0.062   2.212  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        8.621  -0.385   1.084  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.987  -0.723  -0.112  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.593  -0.730  -0.187  0.00  0.00    +0.013 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     18  N   LIG    1       -2.858   0.017  -0.713  0.00  0.00    -0.305 N 
ATOM     19  H   LIG    1       -2.620  -0.098   0.262  0.00  0.00    +0.150 HD
ATOM     20  C   LIG    1       -1.872   0.193  -1.657  0.00  0.00    +0.245 C 
ATOM     21  O   LIG    1       -2.102   0.417  -2.840  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -4.275   0.011  -1.059  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.096   0.526   0.121  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1       -4.756   1.775   0.680  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.472   2.312   1.752  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.553   1.615   2.281  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.920   0.390   1.732  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.202  -0.147   0.658  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     29  C   LIG    1       -4.277  -2.569  -0.820  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -4.673  -1.357  -1.660  0.00  0.00    +0.024 C 
ENDBRANCH  22  30
ENDBRANCH  18  22
ENDBRANCH   1  20
TORSDOF 5