REMARK  Name = BDB019977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.414   1.303  -0.059  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.779   0.826   0.506  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.008  -0.550   0.633  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.026  -1.459   0.219  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.176  -1.008  -0.343  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.381   0.375  -0.478  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        0.931   2.991  -2.144  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -0.034   3.557  -1.140  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -0.662   2.745  -0.181  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.569   3.369   0.689  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.810   4.735   0.596  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.131   5.450  -0.372  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1       -0.253   4.896  -1.234  0.00  0.00    -0.260 NA
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        2.260  -1.091   1.229  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        3.390  -0.308   1.113  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        3.377   0.485   0.487  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.262  -2.199   1.755  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.681  -0.786   1.557  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.441  -1.428   0.445  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        5.196  -2.724   0.032  0.00  0.00    +0.119 A 
ATOM     21  N   LIG    1        5.855  -3.326  -0.979  0.00  0.00    -0.243 NA
ATOM     22  C   LIG    1        6.789  -2.582  -1.590  0.00  0.00    +0.221 A 
ATOM     23  N   LIG    1        7.111  -1.315  -1.286  0.00  0.00    -0.243 NA
ATOM     24  C   LIG    1        6.422  -0.767  -0.267  0.00  0.00    +0.119 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  25
ATOM     25  C   LIG    1       -2.244  -1.992  -0.768  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.381  -1.948   0.126  0.00  0.00    -0.313 N 
ATOM     27  C   LIG    1       -4.574  -1.249  -0.097  0.00  0.00    +0.204 A 
ATOM     28  N   LIG    1       -4.962  -0.581  -1.124  0.00  0.00    -0.268 NA
ATOM     29  H   LIG    1       -4.249  -0.612  -1.850  0.00  0.00    +0.190 HD
ATOM     30  N   LIG    1       -5.304  -1.436   1.080  0.00  0.00    -0.320 N 
ATOM     31  C   LIG    1       -6.656  -0.969   1.251  0.00  0.00    +0.152 C 
ATOM     32  C   LIG    1       -4.593  -2.235   1.960  0.00  0.00    +0.106 A 
ATOM     33  C   LIG    1       -3.419  -2.536   1.389  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6