REMARK  Name = BDB006950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.117  -0.756  -0.786  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.037  -0.271  -0.188  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.357   0.965   0.403  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.650   0.913   0.944  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        3.216   2.007   1.595  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.477   3.184   1.688  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        1.192   3.255   1.129  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.291  -0.455   0.744  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        3.259  -1.185   2.104  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        0.630   2.143   0.478  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        2.250  -1.111  -0.206  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -0.075  -1.810  -1.432  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        4.675  -0.379   0.086  0.00  0.00    -0.036 A 
ATOM     14  C   LIG    1        5.799  -1.041   0.610  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        7.047  -0.953  -0.015  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.200  -0.204  -1.176  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.105   0.460  -1.717  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.858   0.373  -1.093  0.00  0.00    +0.004 A 
ENDBRANCH   8  13
BRANCH   7  19
ATOM     19  C   LIG    1        0.443   4.475   1.216  0.00  0.00    +0.099 C 
ATOM     20  N   LIG    1       -0.180   5.452   1.282  0.00  0.00    -0.191 NA
ENDBRANCH   7  19
BRANCH   1  21
ATOM     21  C   LIG    1       -1.427   0.027  -0.601  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.887   0.039  -0.896  0.00  0.00    +0.097 C 
ATOM     23  N   LIG    1       -2.644  -0.788  -0.859  0.00  0.00    -0.286 NA
ATOM     24  C   LIG    1       -2.766  -1.857   0.165  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -4.051  -2.708   0.014  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -4.122  -3.768   1.112  0.00  0.00    +0.025 C 
ATOM     27  N   LIG    1       -5.261  -1.872   0.085  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -5.290  -1.409   0.992  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -5.178  -0.839  -0.963  0.00  0.00    +0.102 C 
BRANCH  22  30
ATOM     30  C   LIG    1       -3.925   1.022  -2.099  0.00  0.00    +0.179 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -5.096   2.918  -1.251  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -5.122   1.808  -2.139  0.00  0.00    -0.381 OA
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6