REMARK  Name = BDB020975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.751   2.733  -0.563  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1       -3.975   1.600  -0.379  0.00  0.00    -0.260 N 
ATOM      3  C   LIG    1       -2.546   1.716  -0.103  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1       -1.952   0.413   0.303  0.00  0.00    +0.064 A 
ATOM      5  N   LIG    1       -2.674  -0.758   0.346  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1       -1.838  -1.781   0.713  0.00  0.00    +0.116 A 
ATOM      7  N   LIG    1       -0.611  -1.325   0.864  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -4.085  -0.826   0.021  0.00  0.00    +0.142 C 
ATOM      9  C   LIG    1       -0.668   0.032   0.642  0.00  0.00    +0.094 A 
ATOM     10  C   LIG    1       -4.469   0.327  -0.895  0.00  0.00    +0.133 C 
ATOM     11  O   LIG    1       -5.906   2.710  -0.973  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        0.513   0.874   0.700  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        1.701   0.404   0.115  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        2.869   1.194   0.151  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        4.213   1.090  -0.306  0.00  0.00    +0.103 A 
ATOM     16  N   LIG    1        4.926   2.190  -0.029  0.00  0.00    -0.170 NA
ATOM     17  N   LIG    1        4.062   2.975   0.635  0.00  0.00    -0.266 N 
ATOM     18  C   LIG    1        4.503   4.261   1.121  0.00  0.00    +0.173 C 
ATOM     19  C   LIG    1        2.805   2.441   0.772  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        1.640   2.927   1.381  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        0.499   2.117   1.339  0.00  0.00    +0.012 A 
BRANCH  15  22
ATOM     22  C   LIG    1        4.809  -0.044  -1.008  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        4.390  -1.350  -1.129  0.00  0.00    +0.118 A 
ATOM     24  N   LIG    1        5.337  -1.980  -1.886  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        5.347  -3.366  -2.284  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        6.347  -1.176  -2.266  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        6.027   0.002  -1.717  0.00  0.00    +0.144 A 
ENDBRANCH  15  22
ENDBRANCH   9  12
BRANCH   6  28
ATOM     28  C   LIG    1       -2.271  -3.196   0.885  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1       -2.030  -4.045  -0.351  0.00  0.00    +0.171 C 
ATOM     30  O   LIG    1       -1.967  -5.409   0.097  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -1.751  -5.403   1.517  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1       -1.479  -3.969   1.921  0.00  0.00    +0.041 C 
ENDBRANCH   6  28
BRANCH   1  34
ATOM     33  C   LIG    1       -4.858   5.068  -0.413  0.00  0.00    +0.282 C 
ATOM     34  O   LIG    1       -4.090   3.877  -0.238  0.00  0.00    -0.454 OA
ENDBRANCH   1  34
TORSDOF 4