REMARK  Name = BDB041324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.928  -0.620   0.838  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -2.577  -0.703  -0.581  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -1.222  -0.330  -0.985  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -0.846  -0.433  -2.269  0.00  0.00    +0.097 A 
ATOM      5  N   LIG    1       -1.739  -0.865  -3.218  0.00  0.00    -0.328 N 
ATOM      6  H   LIG    1       -1.461  -0.942  -4.189  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1       -3.035  -1.220  -2.943  0.00  0.00    +0.249 A 
ATOM      8  O   LIG    1       -3.818  -1.591  -3.808  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1       -0.290   0.139   0.113  0.00  0.00    +0.128 A 
ATOM     10  N   LIG    1       -0.680   0.161   1.365  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1       -3.445  -1.131  -1.519  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -1.962  -0.220   1.690  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -5.274   1.309   0.926  0.00  0.00    +0.175 C 
ATOM     14  N   LIG    1       -5.228  -0.043   1.421  0.00  0.00    -0.247 N 
ATOM     15  C   LIG    1       -4.189  -0.940   1.404  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -4.718  -2.054   2.019  0.00  0.00    +0.164 A 
ATOM     17  N   LIG    1       -6.016  -1.815   2.366  0.00  0.00    -0.137 NA
ATOM     18  N   LIG    1       -6.322  -0.581   1.991  0.00  0.00    -0.065 NA
ENDBRANCH   1  15
BRANCH   9  19
ATOM     19  N   LIG    1        0.996   0.556  -0.177  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.142   0.935  -1.104  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.824   1.210   0.823  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.228   1.323   0.303  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.100   0.238   0.279  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.914  -1.145   0.779  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        5.142  -1.803   0.149  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.128  -0.785  -0.141  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.395   0.370  -0.205  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        5.883   1.568  -0.686  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        5.022   2.665  -0.690  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        3.713   2.535  -0.204  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        2.911   3.609  -0.234  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   9  19
TORSDOF 4