REMARK  Name = BDB056549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.411  -1.778   0.331  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1        2.204  -1.925  -1.023  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1        1.298  -1.159  -1.879  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.833  -1.398  -3.288  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        2.394  -2.818  -3.210  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        2.965  -2.895  -1.793  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        3.299  -2.406   0.914  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.162  -1.642  -1.766  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -1.081  -0.763  -2.304  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.782   0.179  -2.520  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.473  -2.712  -1.250  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.500  -0.958  -2.101  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.950  -0.277  -0.834  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -2.886  -0.951   0.392  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -3.258  -0.310   1.577  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -3.701   1.020   1.570  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1       -3.758   1.692   0.340  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -3.384   1.054  -0.848  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -4.090   1.695   2.802  0.00  0.00    +0.155 A 
ATOM     20  O   LIG    1       -3.967   0.990   3.974  0.00  0.00    -0.442 OA
ATOM     21  C   LIG    1       -4.393   1.857   4.931  0.00  0.00    +0.308 A 
ATOM     22  N   LIG    1       -4.773   3.035   4.492  0.00  0.00    -0.224 NA
ATOM     23  C   LIG    1       -4.582   2.940   3.136  0.00  0.00    +0.160 A 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  24
ATOM     24  O   LIG    1        3.368  -3.029  -4.221  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1        4.119  -2.434  -4.055  0.00  0.00    +0.210 HD
ENDBRANCH   5  24
BRANCH   1  26
ATOM     26  C   LIG    1        1.530  -0.808   1.100  0.00  0.00    +0.173 C 
BRANCH  26  31
ATOM     27  C   LIG    1        4.235   3.510   1.393  0.00  0.00    +0.069 C 
ATOM     28  C   LIG    1        3.247   2.438   1.142  0.00  0.00    +0.081 A 
ATOM     29  N   LIG    1        2.136   2.691   0.438  0.00  0.00    -0.083 NA
ATOM     30  O   LIG    1        1.435   1.501   0.402  0.00  0.00    -0.359 OA
ATOM     31  C   LIG    1        2.135   0.541   1.065  0.00  0.00    +0.146 A 
ATOM     32  C   LIG    1        3.290   1.091   1.565  0.00  0.00    +0.071 A 
ENDBRANCH  26  31
ENDBRANCH   1  26
TORSDOF 7