REMARK  Name = BDB004006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.592  -0.195  -0.985  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -1.393   0.072   0.094  0.00  0.00    +0.089 A 
ATOM      3  C   LIG    1       -2.370  -0.912   0.001  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1       -3.391  -0.966   0.960  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -3.391  -0.015   1.990  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.397   0.965   2.060  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -2.130  -1.701  -1.092  0.00  0.00    -0.129 NA
ATOM      8  C   LIG    1       -1.370   1.032   1.111  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1       -1.037  -1.248  -1.694  0.00  0.00    -0.065 NA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        0.602   0.506  -1.404  0.00  0.00    +0.160 C 
BRANCH  10  12
ATOM     11  C   LIG    1        2.294  -1.370  -1.099  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1        1.862   0.031  -0.674  0.00  0.00    +0.116 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.974   1.007  -0.957  0.00  0.00    +0.309 C 
ATOM     14  O   LIG    1        2.992   1.863  -1.825  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.014   0.867  -0.113  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        4.665   1.540  -0.404  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
TORSDOF 4