REMARK  Name = BDB000849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.835  -0.588  -0.145  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.367  -0.935   0.201  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -1.006  -1.246   1.340  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.467  -0.837  -0.835  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1       -0.799  -0.751  -2.247  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.483  -1.210  -2.942  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        1.600  -0.808  -1.989  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1       -1.234   0.666  -2.618  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -2.666   0.984  -2.172  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1        0.969  -0.927  -0.597  0.00  0.00    +0.162 C 
ATOM     11  C   LIG    1       -2.938   0.851  -0.670  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.115  -1.969   1.435  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -3.619  -0.730   1.076  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -3.290  -0.210   1.890  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -4.276  -2.898   0.650  0.00  0.00    -0.274 OA
BRANCH  12  17
ATOM     16  C   LIG    1       -5.909  -1.582   3.148  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.482  -2.062   2.929  0.00  0.00    +0.135 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.548  -1.224   3.720  0.00  0.00    -0.320 NA
ATOM     19  H   LIG    1       -3.715  -1.395   4.711  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1       -2.594  -1.555   3.538  0.00  0.00    +0.119 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        1.491   0.237   0.272  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1        2.716  -0.019   0.856  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        3.199  -0.880   0.644  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        0.913   1.318   0.369  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.447   1.001   1.571  0.00  0.00    +0.139 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.546   1.560   0.705  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        4.257   2.540  -0.256  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.263   3.044  -1.080  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.568   2.570  -0.956  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.867   1.590  -0.011  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.861   1.084   0.815  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 6