REMARK  Name = BDB027617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.044  -1.480   0.118  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -0.910  -2.406  -0.332  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.241  -2.008  -0.200  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.194  -2.920  -0.629  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -2.947  -4.144  -1.166  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.655  -4.488  -1.295  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.603  -0.819   0.306  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -1.618   0.011   0.681  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.614  -3.668  -0.900  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -0.309  -0.280   0.608  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.995   1.333   1.216  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.339   1.703   1.381  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.644   2.957   1.888  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -2.716   3.869   2.241  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -1.427   3.510   2.079  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -1.026   2.280   1.581  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.416  -1.810   0.038  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        1.557  -2.682   0.542  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.361  -0.788   0.491  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.600   0.263  -0.596  0.00  0.00    +0.018 C 
BRANCH  20  22
ATOM     21  C   LIG    1        3.859   2.356  -1.215  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        3.616   1.309  -0.140  0.00  0.00    -0.002 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5