REMARK  Name = BDB026348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.406   1.757  -1.755  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.939   1.165  -3.032  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.042  -0.068  -2.765  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.122   0.246  -1.901  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.351   0.865  -0.639  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.262   2.095  -0.880  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.991   0.330  -0.148  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        4.932   0.467   0.691  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.786   0.939   0.133  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.596   1.268  -1.217  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.741   1.127  -2.016  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.945   0.651  -1.493  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.314  -0.844   2.591  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.170  -0.474   1.804  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        6.296  -0.213   2.253  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.263  -0.184   0.458  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.283  -0.317  -0.206  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.909  -0.971  -1.651  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.243  -0.691  -0.990  0.00  0.00    -0.031 A 
ATOM     20  C   LIG    1       -2.570  -1.281   0.240  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1       -3.808  -1.017   0.830  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.741  -0.169   0.214  0.00  0.00    +0.088 A 
ATOM     23  N   LIG    1       -5.999   0.108   0.781  0.00  0.00    -0.245 NA
ATOM     24  C   LIG    1       -6.284  -0.434   1.930  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -5.323  -1.353   2.683  0.00  0.00    +0.271 A 
ATOM     26  O   LIG    1       -5.619  -1.814   3.774  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1       -4.414   0.412  -1.009  0.00  0.00    +0.030 A 
ATOM     28  N   LIG    1       -4.128  -1.600   2.060  0.00  0.00    -0.319 N 
ATOM     29  H   LIG    1       -3.477  -2.208   2.538  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -3.178   0.154  -1.608  0.00  0.00    +0.007 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -7.630  -0.195   2.545  0.00  0.00    +0.133 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -8.598  -1.168   1.926  0.00  0.00    +0.347 C 
ATOM     33  F   LIG    1       -9.846  -0.921   2.401  0.00  0.00    -0.209 F 
ATOM     34  F   LIG    1       -8.290  -2.435   2.300  0.00  0.00    -0.209 F 
ENDBRANCH  31  32
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6