REMARK  Name = BDB058041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.335  -1.369   1.065  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -2.112  -0.048   0.678  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -0.807   0.448   0.522  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.328  -0.343   0.748  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.085  -1.662   1.157  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.215  -2.168   1.315  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -7.032   0.430  -1.244  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -6.371  -0.472  -0.429  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -5.026  -0.494  -0.136  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -4.832  -1.554   0.738  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -6.118  -2.246   1.012  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -6.343  -3.202   1.721  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -3.670  -1.951   1.276  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -7.074  -1.486   0.218  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -8.438  -1.663   0.083  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -9.115  -0.772  -0.750  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -8.421   0.264  -1.409  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -6.986   2.658  -2.216  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -6.433   3.428  -2.575  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -7.862   2.887  -1.770  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -6.291   1.514  -1.930  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -5.106   1.419  -2.216  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  N   LIG    1        1.615   0.146   0.601  0.00  0.00    -0.327 N 
ATOM     24  C   LIG    1        2.733  -0.760   0.278  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        3.808  -0.054  -0.581  0.00  0.00    +0.103 C 
ATOM     26  N   LIG    1        4.357   1.203  -0.026  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        3.361   1.882   0.834  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1        1.889   1.585   0.468  0.00  0.00    +0.120 C 
BRANCH  26  29
ATOM     29  C   LIG    1        5.610   0.998   0.717  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.784   0.622  -0.163  0.00  0.00    -0.033 A 
ATOM     31  C   LIG    1        7.597  -0.473   0.166  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        8.694  -0.807  -0.631  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.994  -0.048  -1.761  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        8.200   1.047  -2.094  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        7.104   1.383  -1.298  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH   4  23
TORSDOF 5