REMARK  Name = BDB006850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.079  -0.516  -0.288  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.408  -0.516   0.933  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        0.844   0.078   1.186  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.228  -0.152   2.507  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        2.428   0.331   3.005  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        3.254   1.064   2.151  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.880   1.307   0.813  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1        0.223  -0.984   3.232  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        1.659   0.802   0.331  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -0.895  -1.110   2.190  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -0.619  -0.021  -1.318  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -2.458  -1.218  -0.260  0.00  0.00    +0.181 C 
BRANCH  12  19
ATOM     13  C   LIG    1       -5.360   2.219  -0.963  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -4.881   0.799  -0.661  0.00  0.00    +0.065 C 
ATOM     15  N   LIG    1       -6.030  -0.124  -0.764  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1       -6.420  -0.036  -1.704  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -5.574  -1.513  -0.594  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -4.419  -1.894  -1.546  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1       -3.253  -0.992  -1.489  0.00  0.00    -0.291 NA
ATOM     20  C   LIG    1       -3.714   0.408  -1.614  0.00  0.00    +0.103 C 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   7  21
ATOM     21  C   LIG    1        3.793   2.089  -0.105  0.00  0.00    +0.070 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.001   1.308  -0.571  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        4.861   0.277  -1.511  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.974  -0.448  -1.940  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.238  -0.149  -1.435  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.390   0.872  -0.499  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.277   1.598  -0.068  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 4