REMARK  Name = BDB001379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.856  -0.339  -2.394  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.811  -0.506  -1.794  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -2.126   0.376  -0.985  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.821  -0.137  -0.557  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.900  -1.577  -1.043  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.056  -2.660  -0.819  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.376  -3.892  -1.402  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.533  -4.041  -2.186  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.394  -2.963  -2.388  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.054  -1.756  -1.802  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.632  -0.005   0.960  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.300   0.890   1.518  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        0.456   1.002   2.902  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -0.327   0.233   3.758  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.271  -0.643   3.232  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.425  -0.759   1.849  0.00  0.00    +0.008 A 
ENDBRANCH   4  11
BRANCH   3  17
ATOM     17  C   LIG    1       -2.546   1.750  -0.783  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.405   1.929   0.446  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -4.691   1.371   0.507  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -5.483   1.531   1.645  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.001   2.252   2.735  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.728   2.816   2.687  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.936   2.659   1.548  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   4  24
ATOM     24  O   LIG    1        0.122   0.649  -1.303  0.00  0.00    -0.346 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.406   0.076  -1.540  0.00  0.00    +0.182 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.354   1.176  -2.034  0.00  0.00    +0.129 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.683   0.662  -2.359  0.00  0.00    -0.342 N 
ATOM     28  H   LIG    1        3.691   0.079  -3.192  0.00  0.00    +0.146 HD
BRANCH  27  29
ATOM     29  C   LIG    1        4.546   0.197  -1.366  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        4.484   0.605  -0.029  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        5.410   0.145   0.915  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.437  -0.710   0.528  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.545  -1.092  -0.804  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        5.615  -0.630  -1.741  0.00  0.00    +0.023 A 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 8