REMARK  Name = BDB004671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.703   0.274  -1.222  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.429  -0.315  -1.079  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.328   0.546  -0.901  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.066  -0.064  -0.740  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.095  -1.392  -0.802  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.001  -2.123  -0.987  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.518   1.952  -0.899  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.779   2.512  -1.047  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.248  -1.655  -1.113  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -3.870   1.673  -1.202  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -4.872  -1.879  -1.439  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.973  -2.345  -1.362  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -5.711  -2.422  -1.581  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -4.959  -0.519  -1.406  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.052   0.026  -1.525  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        1.075   0.738  -0.542  0.00  0.00    -0.326 N 
ATOM     17  H   LIG    1        0.908   1.397   0.211  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.366   0.051  -0.417  0.00  0.00    +0.134 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.598  -0.632   0.947  0.00  0.00    +0.135 C 
ATOM     20  O   LIG    1        3.877  -1.308   0.907  0.00  0.00    -0.375 OA
ATOM     21  C   LIG    1        4.748  -0.720   1.880  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1        4.149   0.620   2.237  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1        2.673   0.336   2.124  0.00  0.00    +0.035 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4