REMARK  Name = BDB003739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.135   2.859  -0.240  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        1.688   1.446  -0.250  0.00  0.00    +0.060 A 
ATOM      3  N   LIG    1        0.494   1.121  -0.753  0.00  0.00    -0.176 NA
ATOM      4  N   LIG    1        0.405  -0.213  -0.580  0.00  0.00    -0.268 N 
ATOM      5  C   LIG    1        1.543  -0.758  -0.038  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        1.754  -2.207   0.198  0.00  0.00    +0.065 C 
ATOM      7  C   LIG    1        2.382   0.309   0.209  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.789  -0.893  -1.051  0.00  0.00    +0.158 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.078  -0.594  -0.271  0.00  0.00    +0.116 C 
ATOM     10  C   LIG    1       -2.559   0.850  -0.425  0.00  0.00    +0.021 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -1.919  -1.030   1.166  0.00  0.00    +0.309 C 
ATOM     12  O   LIG    1       -1.386  -2.066   1.533  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -2.490  -0.217   2.070  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1       -2.301  -0.639   2.934  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   4   8
TORSDOF 4