REMARK  Name = BDB007501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.943   2.059   0.353  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.806   1.305   0.153  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.841   0.540  -0.509  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.924   3.193   0.817  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        6.704   0.349  -0.841  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        6.545   1.736  -0.737  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        5.315   2.277  -0.349  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        4.233   1.436  -0.061  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.400   0.047  -0.136  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        5.631  -0.495  -0.525  0.00  0.00    +0.014 A 
BRANCH   5  14
ATOM     11  N   LIG    1        8.071  -1.437  -1.792  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        8.963  -1.714  -2.183  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        7.247  -1.889  -2.162  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        8.032  -0.180  -1.255  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        9.051   0.490  -1.155  0.00  0.00    -0.270 OA
ENDBRANCH   5  14
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  C   LIG    1        0.486   1.891   0.329  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.584   0.797   0.472  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.500  -0.060  -0.675  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.081  -0.819  -0.490  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -1.984   1.443   0.605  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.152   0.567   0.787  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.742   0.097  -0.473  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.909  -0.853  -0.290  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.166  -1.465   0.950  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.242  -2.354   1.079  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.043  -2.655  -0.022  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.781  -2.066  -1.256  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.327  -1.112   2.151  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.719  -1.170  -1.391  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.973  -0.510   1.758  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7