REMARK  Name = BDB025522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.868   0.254   0.582  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.516   0.346   0.284  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.306  -0.168  -0.767  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.524   0.465  -0.675  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.762   0.374  -1.492  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1        4.796   1.429  -1.036  0.00  0.00    +0.089 C 
ATOM      7  N   LIG    1        4.883   1.680   0.415  0.00  0.00    -0.294 NA
ATOM      8  C   LIG    1        3.591   2.080   1.015  0.00  0.00    +0.142 C 
ATOM      9  C   LIG    1        2.463   1.235   0.500  0.00  0.00    +0.083 A 
ATOM     10  N   LIG    1        1.292   1.117   1.120  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.276   0.673   1.665  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -6.822   0.270  -0.046  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -5.535  -0.454   0.247  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -4.292   0.028  -0.221  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -4.249   1.167  -1.047  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.968   1.839  -0.789  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.948   1.789  -1.225  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -1.932   0.736  -1.637  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -1.769  -0.296  -0.515  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.129  -0.731   0.027  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1       -3.206  -1.904   0.801  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.427  -2.343   1.300  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.585  -1.625   1.020  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1        0.931  -1.101  -1.681  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        0.449  -1.938  -1.352  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        1.641  -1.396  -2.353  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
BRANCH   7  27
ATOM     27  C   LIG    1        5.623   0.667   1.178  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.908  -0.616   1.631  0.00  0.00    +0.171 C 
BRANCH  28  29
ATOM     29  O   LIG    1        5.836  -1.454   2.319  0.00  0.00    -0.394 OA
ATOM     30  H   LIG    1        5.326  -2.195   2.688  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 5