REMARK  Name = BDB013862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.379   0.597  -1.096  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -1.923  -0.302  -0.898  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -3.318   0.154   1.154  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -3.132   0.984   0.032  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -3.820   2.202   0.066  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -4.584   2.649   1.093  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -4.711   1.831   2.151  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -4.112   0.590   2.226  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -2.905  -1.940   2.265  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -2.706  -1.191   1.324  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -1.862  -1.556   0.339  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -1.550  -2.438   0.639  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1       -1.398   1.555  -1.612  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.171   1.603  -0.730  0.00  0.00    -0.027 A 
ATOM     15  C   LIG    1        0.823   0.613  -0.846  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        1.945   0.632  -0.015  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        2.072   1.644   0.938  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        1.091   2.627   1.067  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -0.028   2.606   0.238  0.00  0.00    +0.005 A 
BRANCH  16  20
ATOM     20  O   LIG    1        2.974  -0.269  -0.029  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.902  -1.327  -0.982  0.00  0.00    +0.232 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.132  -2.170  -0.831  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        4.124  -3.621  -1.238  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        4.197  -3.250   0.218  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 8