REMARK  Name = BDB009077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.357  -0.648   1.644  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.455  -1.328   0.813  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.729  -1.886   1.323  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.986  -1.784   2.695  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.092  -1.114   3.529  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.073  -0.545   3.004  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.583   0.945   2.802  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.519   0.627   1.617  0.00  0.00    +0.253 C 
ATOM      9  N   LIG    1        2.506  -0.108   1.032  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        2.593  -0.274   0.032  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.623   1.075   0.716  0.00  0.00    +0.098 A 
ATOM     12  C   LIG    1        4.696   0.807  -0.645  0.00  0.00    +0.225 A 
ATOM     13  N   LIG    1        5.684   1.206  -1.472  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1        6.678   1.927  -0.908  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        6.719   2.256   0.437  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        5.676   1.823   1.256  0.00  0.00    +0.020 A 
BRANCH  12  17
ATOM     17  O   LIG    1        3.750   0.092  -1.308  0.00  0.00    -0.492 OA
ATOM     18  H   LIG    1        4.135   0.114  -2.207  0.00  0.00    +0.294 HD
ENDBRANCH  12  17
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.693  -2.618   0.419  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.074  -1.832  -0.833  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -2.998  -0.659  -0.720  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.596  -0.266   0.603  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -4.753   0.730   0.474  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.422   1.828  -0.529  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.132   1.238  -1.910  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.261   0.013  -1.855  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -2.675  -0.438  -3.141  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -2.913   0.137  -4.198  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -1.859  -1.535  -3.075  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -1.449  -1.859  -3.945  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -1.546  -2.232  -1.952  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5