REMARK  Name = BDB058301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.296   0.053   0.048  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        2.152  -0.946   0.146  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.154   0.837  -0.015  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1        1.115   2.057  -0.131  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.989  -0.180   0.012  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        4.626  -0.511   0.068  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        3.638   0.479  -0.017  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        4.031   1.810  -0.159  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        5.387   2.148  -0.216  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        6.367   1.158  -0.130  0.00  0.00    +0.011 A 
BRANCH   5  12
ATOM     11  C   LIG    1        8.457  -0.951   0.033  0.00  0.00    +0.091 C 
ATOM     12  C   LIG    1        6.989  -1.284   0.110  0.00  0.00    +0.160 C 
ATOM     13  O   LIG    1        6.606  -2.443   0.252  0.00  0.00    -0.292 OA
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   3  14
ATOM     14  C   LIG    1       -0.104  -0.006   0.103  0.00  0.00    +0.111 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.365   0.839  -0.096  0.00  0.00    +0.094 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.592   0.019  -0.079  0.00  0.00    -0.297 NA
ATOM     17  C   LIG    1       -3.708   0.790  -0.670  0.00  0.00    +0.119 C 
ATOM     18  C   LIG    1       -5.053   0.102  -0.567  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -5.275  -0.907   0.385  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -6.538  -1.508   0.483  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -7.581  -1.091  -0.342  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -7.371  -0.077  -1.273  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.139  -1.383   1.251  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -6.114   0.519  -1.384  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -2.966  -0.393   1.285  0.00  0.00    +0.089 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 5