REMARK  Name = BDB054666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.742  -1.146   0.389  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.661  -0.088   0.137  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.912  -0.553   0.013  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.839  -1.881   0.278  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.543  -2.266   0.511  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.412   1.348   0.015  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.000   2.075  -1.031  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.769   3.448  -1.164  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.948   4.101  -0.236  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1       -0.362   3.391   0.819  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -0.601   2.018   0.944  0.00  0.00    +0.012 A 
BRANCH   9  12
ATOM     12  N   LIG    1       -0.702   5.543  -0.370  0.00  0.00    +0.056 N 
ATOM     13  O   LIG    1       -0.019   6.094   0.504  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -1.188   6.121  -1.352  0.00  0.00    -0.126 OA
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   4  15
ATOM     15  C   LIG    1       -4.010  -2.690   0.281  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1       -3.943  -4.065   0.548  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -5.110  -4.836   0.543  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -6.343  -4.244   0.274  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.416  -2.879   0.008  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.256  -2.102   0.011  0.00  0.00    +0.028 A 
ENDBRANCH   4  15
BRANCH   1  23
ATOM     21  N   LIG    1        1.362  -0.239  -0.259  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        0.793   0.277  -0.917  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        0.709  -1.162   0.535  0.00  0.00    +0.252 C 
ATOM     24  O   LIG    1        1.244  -1.975   1.280  0.00  0.00    -0.270 OA
BRANCH  21  28
ATOM     25  C   LIG    1        5.469   0.732  -0.503  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        5.049  -0.223   0.421  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        3.692  -0.565   0.521  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        2.743   0.040  -0.303  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        3.169   1.000  -1.227  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        4.521   1.340  -1.325  0.00  0.00    +0.047 A 
BRANCH  25  32
ATOM     31  C   LIG    1        7.757   0.559   0.114  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        6.754   1.154  -0.700  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  21  28
ENDBRANCH   1  23
TORSDOF 6