REMARK  Name = BDB065041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.563  -0.037   1.457  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.211  -0.541   0.320  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -2.469  -1.176   0.399  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -3.046  -1.317   1.671  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.408  -0.816   2.807  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.174  -0.175   2.700  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.166  -1.732  -0.856  0.00  0.00    +0.144 C 
ATOM      8  O   LIG    1       -4.543  -2.068  -0.555  0.00  0.00    -0.439 OA
ATOM      9  C   LIG    1       -5.557  -1.177  -0.666  0.00  0.00    +0.401 C 
ATOM     10  O   LIG    1       -6.678  -1.415  -0.231  0.00  0.00    -0.226 OA
ATOM     11  N   LIG    1       -5.301  -0.009  -1.319  0.00  0.00    -0.281 N 
ATOM     12  H   LIG    1       -6.072   0.645  -1.301  0.00  0.00    +0.152 HD
ATOM     13  C   LIG    1       -4.002   0.419  -1.746  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -3.140  -0.779  -2.062  0.00  0.00    +0.072 C 
BRANCH   7  15
ATOM     15  C   LIG    1       -2.431  -3.019  -1.239  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -2.704  -4.334  -0.543  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -3.128  -4.144  -1.974  0.00  0.00    +0.008 C 
ENDBRANCH   7  15
ENDBRANCH   3   7
BRANCH   1  19
ATOM     18  C   LIG    1        1.513   1.159   2.208  0.00  0.00    +0.267 C 
ATOM     19  N   LIG    1        0.683   0.587   1.263  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        1.042   0.642   0.313  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        1.331   1.226   3.417  0.00  0.00    -0.268 OA
BRANCH  18  27
ATOM     22  C   LIG    1        5.889   3.514   2.548  0.00  0.00    +0.066 C 
ATOM     23  C   LIG    1        4.790   2.852   1.772  0.00  0.00    +0.042 A 
ATOM     24  N   LIG    1        4.933   2.780   0.431  0.00  0.00    -0.237 NA
ATOM     25  C   LIG    1        3.966   2.177  -0.292  0.00  0.00    +0.133 A 
ATOM     26  N   LIG    1        2.859   1.651   0.259  0.00  0.00    -0.227 NA
ATOM     27  C   LIG    1        2.756   1.745   1.608  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1        3.696   2.334   2.421  0.00  0.00    +0.056 A 
BRANCH  25  29
ATOM     29  C   LIG    1        4.127   2.092  -1.789  0.00  0.00    +0.057 C 
ATOM     30  C   LIG    1        4.205   0.737  -2.459  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1        5.424   1.609  -2.400  0.00  0.00    +0.012 C 
ENDBRANCH  25  29
ENDBRANCH  18  27
ENDBRANCH   1  19
TORSDOF 5