REMARK  Name = BDB031092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.297   2.719   1.316  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        0.774   1.862   1.530  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1        0.521   0.498   1.577  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1       -0.714  -0.035   1.440  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -1.741   0.805   1.224  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1       -1.573   2.183   1.161  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.565  -0.480   1.819  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        2.731  -0.630   1.087  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        3.449  -1.658   1.691  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        4.715  -1.979   1.133  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        5.160  -1.317   0.049  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.380  -0.257  -0.605  0.00  0.00    -0.028 A 
ATOM     13  N   LIG    1        2.799  -2.181   2.706  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        3.185   0.044  -0.050  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1        1.624  -1.481   2.772  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  C   LIG    1        4.896   0.425  -1.811  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        5.720  -0.301  -2.842  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        6.361   0.743  -1.969  0.00  0.00    +0.009 C 
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   5  19
ATOM     19  N   LIG    1       -2.990   0.203   1.087  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -2.808  -0.793   1.212  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.656   0.450  -0.188  0.00  0.00    +0.093 C 
ATOM     22  C   LIG    1       -5.003  -0.247  -0.245  0.00  0.00    +0.003 C 
ATOM     23  C   LIG    1       -6.240   0.503   0.219  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -5.767  -0.691   0.992  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -5.067  -1.077  -1.503  0.00  0.00    +0.089 C 
ATOM     26  N   LIG    1       -3.989  -0.535  -2.345  0.00  0.00    -0.314 NA
ATOM     27  H   LIG    1       -4.333   0.325  -2.773  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -2.923  -0.185  -1.387  0.00  0.00    +0.103 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 4