REMARK  Name = BDB058173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.868  -0.452  -0.178  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.984   0.875  -0.502  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -2.180   1.745  -0.616  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -1.523   3.137  -0.680  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -0.105   2.942  -1.090  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        0.867   3.881  -0.511  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1        0.180   5.239  -0.291  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -0.940   5.181   0.614  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -1.577   3.892   0.666  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1        0.167   1.586  -0.760  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.385   1.057  -0.694  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.428  -0.248  -0.368  0.00  0.00    +0.165 A 
ATOM     13  N   LIG    1        0.346  -1.020  -0.108  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -1.515  -1.698   2.469  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -1.832  -2.287   1.091  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.037  -1.208   0.078  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -2.488  -1.785  -1.217  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -3.755  -2.624  -1.006  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -3.524  -3.679  -0.062  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -3.129  -3.128   1.204  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.749  -0.885  -0.282  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        3.925  -0.183  -0.541  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        5.182  -0.702  -0.479  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        5.295  -1.995  -0.147  0.00  0.00    +0.116 A 
ATOM     25  C   LIG    1        4.198  -2.791   0.139  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        2.921  -2.232   0.067  0.00  0.00    +0.016 A 
BRANCH  24  27
ATOM     27  N   LIG    1        6.586  -2.509  -0.068  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1        6.692  -3.334  -0.646  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        7.213  -1.762  -0.358  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  12  21
TORSDOF 3