REMARK  Name = BDB008847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.330  -1.514   1.254  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.354  -0.750   1.834  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.564  -1.339   2.240  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.725  -2.721   2.089  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.712  -3.487   1.516  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.522  -2.885   1.097  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.150  -2.528  -0.050  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        1.973  -1.357   0.269  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        0.840  -0.829   0.868  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        0.850   0.167   1.054  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.013  -0.280   0.009  0.00  0.00    +0.111 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.315  -0.877  -0.528  0.00  0.00    +0.093 C 
BRANCH  12  13
ATOM     13  N   LIG    1        5.371   0.139  -0.694  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        5.154   1.013  -1.849  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1        6.128   2.198  -1.804  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1        7.514   1.823  -1.276  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1        7.777   0.336  -1.452  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        6.695  -0.511  -0.766  0.00  0.00    +0.084 C 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -3.657  -0.506   2.866  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.040   0.717   2.035  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.847   0.544   0.786  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -5.332  -0.813   0.357  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -6.408  -0.755  -0.732  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.042   0.256  -1.811  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.875   1.655  -1.216  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -5.111   1.657   0.079  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -4.637   2.978   0.564  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -4.873   4.015  -0.046  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -3.926   2.966   1.733  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -3.599   3.859   2.085  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.613   1.867   2.468  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6