REMARK  Name = BDB049102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.859   0.051  -0.257  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -4.229  -0.779  -1.411  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -2.873  -1.019  -2.102  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -1.954  -1.304  -0.888  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -2.615  -0.528   0.277  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -0.488  -0.964  -1.059  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.486  -1.928  -0.763  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.847  -1.634  -0.889  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        2.270  -0.368  -1.312  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.299   0.590  -1.615  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -0.063   0.301  -1.484  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        3.636  -0.007  -1.441  0.00  0.00    -0.330 N 
ATOM     13  C   LIG    1        4.226  -0.772  -2.551  0.00  0.00    +0.129 C 
BRANCH  12  14
ATOM     14  C   LIG    1        4.384  -0.085  -0.148  0.00  0.00    +0.076 C 
ATOM     15  C   LIG    1        3.764   0.825   0.922  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        4.506   0.691   2.256  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        5.915   0.299   2.106  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1        6.674   0.619   3.313  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1        6.500   0.916   0.922  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        5.859   0.333  -0.344  0.00  0.00    +0.038 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  21
ATOM     21  N   LIG    1       -2.940  -1.993  -3.213  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -3.158  -3.381  -2.814  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -1.772  -1.897  -4.087  0.00  0.00    +0.104 C 
ENDBRANCH   3  21
BRANCH   1  24
ATOM     24  C   LIG    1       -4.939   0.131   0.730  0.00  0.00    +0.122 C 
BRANCH  24  27
ATOM     25  C   LIG    1       -4.620   3.125   0.405  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -4.508   2.454   1.745  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -4.636   1.057   1.890  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.480   0.502   3.167  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -4.587  -0.823   3.337  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.205   1.287   4.282  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.080   2.664   4.138  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.224   3.241   2.877  0.00  0.00    +0.004 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6