REMARK  Name = BDB058020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.125  -2.723   0.147  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1        1.449  -2.027  -0.866  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.053  -2.054  -0.940  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -0.679  -2.777   0.004  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.017  -3.515   0.988  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.379  -3.485   1.058  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        5.250   1.674  -0.788  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        5.152   0.341  -0.430  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1        4.002  -0.410  -0.340  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1        4.397  -1.688   0.033  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1        5.873  -1.755   0.188  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1        6.572  -2.694   0.498  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1        3.590  -2.735   0.254  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1        6.296  -0.397  -0.130  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        7.568   0.141  -0.161  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.681   1.488  -0.506  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        6.535   2.250  -0.815  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1        4.183   3.512  -1.969  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        4.988   3.614  -2.570  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        3.325   3.964  -2.263  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        4.035   2.461  -1.105  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        2.937   2.186  -0.641  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1       -2.158  -2.829  -0.053  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -2.873  -1.636  -0.087  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -4.330  -1.709  -0.220  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1       -4.960  -0.413  -0.757  0.00  0.00    +0.127 C 
ATOM     27  N   LIG    1       -4.524   0.761   0.003  0.00  0.00    -0.297 N 
ATOM     28  C   LIG    1       -3.356   0.637   0.873  0.00  0.00    +0.127 C 
ATOM     29  C   LIG    1       -2.316  -0.317   0.257  0.00  0.00    +0.127 C 
ATOM     30  O   LIG    1       -2.693  -3.935  -0.064  0.00  0.00    -0.270 OA
BRANCH  27  31
ATOM     31  C   LIG    1       -5.446   1.745   0.285  0.00  0.00    +0.218 A 
ATOM     32  N   LIG    1       -6.580   1.799  -0.434  0.00  0.00    -0.223 NA
ATOM     33  C   LIG    1       -7.458   2.780  -0.154  0.00  0.00    +0.116 A 
ATOM     34  C   LIG    1       -7.256   3.721   0.820  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1       -6.077   3.597   1.505  0.00  0.00    +0.116 A 
ATOM     36  N   LIG    1       -5.170   2.633   1.258  0.00  0.00    -0.223 NA
ENDBRANCH  27  31
ENDBRANCH   4  23
TORSDOF 4