REMARK  Name = BDB058178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.757  -0.194   0.432  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.570   1.165   0.483  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -1.512   2.309   0.729  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -0.692   3.434   0.086  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1        0.708   3.071   0.344  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        1.683   3.911  -0.326  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1        1.386   5.371   0.099  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1        0.002   5.750  -0.103  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -0.901   4.858   0.596  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        0.696   1.675   0.215  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.744   0.935  -0.111  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.490  -0.381  -0.183  0.00  0.00    +0.165 A 
ATOM     13  N   LIG    1        0.288  -0.960   0.065  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -2.224  -2.112  -1.403  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -2.363  -2.121   0.133  0.00  0.00    +0.054 C 
ATOM     16  N   LIG    1       -1.970  -0.800   0.704  0.00  0.00    -0.305 N 
ATOM     17  C   LIG    1       -2.795  -0.293   1.814  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -3.448  -1.429   2.614  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -4.210  -2.355   1.835  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -3.879  -2.341   0.441  0.00  0.00    +0.185 C 
ATOM     21  C   LIG    1       -1.552  -3.284   0.730  0.00  0.00    +0.034 C 
ENDBRANCH   1  16
BRANCH  12  22
ATOM     22  C   LIG    1        2.603  -1.258  -0.576  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        2.416  -2.603  -0.884  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1        3.395  -3.471  -1.260  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        4.643  -2.988  -1.341  0.00  0.00    +0.116 A 
ATOM     26  C   LIG    1        4.953  -1.670  -1.052  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1        3.926  -0.803  -0.672  0.00  0.00    +0.016 A 
BRANCH  25  28
ATOM     28  N   LIG    1        5.638  -3.889  -1.706  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        6.168  -3.554  -2.501  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        5.172  -4.771  -1.906  0.00  0.00    +0.144 HD
ENDBRANCH  25  28
ENDBRANCH  12  22
TORSDOF 3