REMARK  Name = BDB004655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.889   0.317  -0.633  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.799   0.266   0.263  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.507   0.180  -0.291  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.431   0.113   0.621  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.614   0.172   1.948  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.872   0.263   2.374  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.332   0.173  -1.698  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.417   0.229  -2.561  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.966   0.301   1.604  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -3.694   0.296  -2.028  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.579   0.419   1.151  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -6.537   0.493   1.462  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -4.824   0.402   1.831  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.316   0.399  -0.185  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.240   0.447  -0.991  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.887   0.012   0.130  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.952  -0.780  -0.503  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.927  -0.058   1.149  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.264  -0.233   0.465  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.942  -1.459   0.515  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.171  -1.615  -0.130  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.730  -0.551  -0.835  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.062   0.671  -0.898  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.835   0.829  -0.254  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4