REMARK  Name = BDB012814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.480   1.889  -0.080  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.255   1.152   1.040  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.545   0.798   0.459  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.460   0.071   1.206  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.178  -0.316   2.339  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.531   0.978  -0.988  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.064   1.202  -1.337  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -4.521   4.553   0.259  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -3.906   3.187   0.205  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -2.560   3.117   0.092  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.979   1.896   0.041  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -2.728   0.722   0.093  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.122   0.790   0.211  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.711   2.056   0.269  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.939  -0.432   0.272  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1       -4.860  -1.406  -0.738  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -5.637  -2.568  -0.681  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1       -6.507  -2.778   0.391  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1       -6.597  -1.821   1.405  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -5.819  -0.659   1.343  0.00  0.00    +0.010 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -7.304  -3.968   0.451  0.00  0.00    +0.099 C 
ATOM     22  N   LIG    1       -7.950  -4.931   0.498  0.00  0.00    -0.191 NA
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  23
ATOM     23  C   LIG    1        3.736  -0.223   0.606  0.00  0.00    +0.121 A 
ATOM     24  N   LIG    1        4.471   0.623  -0.175  0.00  0.00    -0.272 N 
ATOM     25  H   LIG    1        4.247   1.576  -0.437  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1        5.623   0.100  -0.622  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1        5.684  -1.100  -0.031  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        4.535  -1.339   0.759  0.00  0.00    +0.057 A 
BRANCH  27  29
ATOM     29  C   LIG    1        6.860  -2.012  -0.233  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1        8.157  -1.390   0.288  0.00  0.00    +0.014 C 
ATOM     31  C   LIG    1        7.011  -2.428  -1.698  0.00  0.00    +0.014 C 
ENDBRANCH  27  29
ENDBRANCH   4  23
TORSDOF 5