REMARK  Name = BDB041333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.559  -3.566   1.545  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -2.489  -2.662   1.010  0.00  0.00    +0.039 A 
ATOM      3  N   LIG    1       -1.209  -3.030   1.208  0.00  0.00    -0.259 NA
ATOM      4  C   LIG    1       -0.247  -2.219   0.705  0.00  0.00    +0.123 A 
ATOM      5  C   LIG    1       -0.476  -1.015   0.023  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.823  -0.645  -0.175  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1       -2.093   0.548  -0.879  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.012   1.280  -1.356  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1        0.282   0.948  -1.165  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1        0.553  -0.179  -0.475  0.00  0.00    +0.128 A 
ATOM     11  C   LIG    1       -2.831  -1.497   0.330  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -3.445   1.038  -1.126  0.00  0.00    +0.071 A 
ATOM     13  N   LIG    1       -4.218   1.707  -0.207  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -3.869   2.063   1.149  0.00  0.00    +0.173 C 
ATOM     15  N   LIG    1       -5.441   2.029  -0.670  0.00  0.00    -0.176 NA
ATOM     16  C   LIG    1       -5.443   1.588  -1.932  0.00  0.00    +0.061 A 
ATOM     17  C   LIG    1       -6.639   1.777  -2.788  0.00  0.00    +0.067 C 
ATOM     18  C   LIG    1       -4.220   0.967  -2.266  0.00  0.00    +0.052 A 
ENDBRANCH   7  12
BRANCH  10  19
ATOM     19  N   LIG    1        1.899  -0.529  -0.261  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        2.065  -0.642   0.734  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.874   0.368  -0.874  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.259  -0.073  -0.489  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.838   0.263   0.733  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.291   1.036   1.873  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        5.576   1.240   2.676  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        6.523   0.208   2.316  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        6.105  -0.197   1.075  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.848  -1.004   0.239  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        6.293  -1.346  -0.994  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        5.016  -0.884  -1.345  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        4.521  -1.239  -2.539  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  10  19
TORSDOF 4