REMARK  Name = BDB031663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.839  -1.063  -0.317  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1        0.137   0.146  -0.449  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -1.171   0.323   0.030  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.537   1.675  -0.266  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -0.500   2.255  -0.960  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -1.834  -0.770   0.652  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -3.231  -0.684   1.208  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.161  -2.005   0.701  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1        0.476   1.310  -1.108  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        1.323   1.433  -1.646  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        0.135  -2.150   0.213  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        3.267   0.753   0.147  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        3.263  -0.503  -0.683  0.00  0.00    +0.214 C 
ATOM     14  N   LIG    1        2.151  -1.292  -0.751  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        2.382  -2.235  -1.044  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        4.287  -0.867  -1.265  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   4  17
ATOM     17  C   LIG    1       -2.763   2.341   0.048  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1       -3.758   2.883   0.301  0.00  0.00    -0.191 NA
ENDBRANCH   4  17
TORSDOF 2