REMARK  Name = BDB049634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.301   0.686   0.315  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.846  -0.063   0.008  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.025   0.587   0.305  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.962   1.594   0.316  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.779  -1.181  -0.495  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.960  -1.094  -0.894  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.052  -1.928  -0.094  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.086  -1.040   0.700  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.628   0.187  -0.101  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.755  -0.065  -1.606  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.205  -0.416  -1.970  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.147  -1.826  -1.398  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -5.988  -0.986  -2.381  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -6.087  -2.363  -0.282  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.962  -0.479   1.473  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.838  -1.333   0.573  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.331   0.059   0.272  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        4.392   0.966   0.358  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        5.717   0.519   0.348  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        6.010  -0.848   0.259  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1        4.941  -1.752   0.184  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.615  -1.303   0.193  0.00  0.00    +0.023 A 
BRANCH  20  23
ATOM     23  C   LIG    1        7.454  -1.315   0.247  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        7.768  -2.201   1.455  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        7.803  -2.031  -1.060  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  26
ATOM     26  C   LIG    1       -0.295   1.673   1.402  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.122   3.060   0.966  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        0.955   3.829   1.795  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        1.345   5.114   1.417  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.899   5.652   0.212  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.059   4.907  -0.613  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.332   3.621  -0.236  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8