REMARK  Name = BDB055857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.039  -5.895  -1.468  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -2.320  -4.925  -1.227  0.00  0.00    +0.236 C 
ATOM      3  N   LIG    1       -0.994  -5.093  -0.952  0.00  0.00    -0.266 N 
ATOM      4  H   LIG    1       -0.609  -6.024  -0.928  0.00  0.00    +0.156 HD
ATOM      5  C   LIG    1       -0.131  -4.030  -0.710  0.00  0.00    +0.165 A 
ATOM      6  C   LIG    1       -0.587  -2.702  -0.853  0.00  0.00    +0.163 A 
ATOM      7  N   LIG    1        0.267  -1.675  -0.633  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1        1.546  -1.972  -0.280  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1        1.949  -3.299  -0.146  0.00  0.00    +0.141 A 
ATOM     10  N   LIG    1       -1.886  -2.434  -1.280  0.00  0.00    -0.304 N 
ATOM     11  N   LIG    1        1.131  -4.356  -0.362  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -2.882  -3.503  -1.124  0.00  0.00    +0.202 C 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        2.439  -0.822  -0.051  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        3.809  -0.861  -0.361  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.645   0.245  -0.138  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        4.135   1.432   0.402  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        2.771   1.480   0.713  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        1.940   0.376   0.486  0.00  0.00    +0.011 A 
BRANCH  16  19
ATOM     19  C   LIG    1        4.968   2.610   0.650  0.00  0.00    +0.161 A 
ATOM     20  N   LIG    1        6.265   2.777   0.230  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1        6.813   2.125  -0.308  0.00  0.00    +0.168 HD
ATOM     22  C   LIG    1        6.662   4.004   0.660  0.00  0.00    +0.222 A 
ATOM     23  N   LIG    1        5.679   4.577   1.310  0.00  0.00    -0.138 NA
ATOM     24  N   LIG    1        4.616   3.705   1.300  0.00  0.00    -0.130 NA
ENDBRANCH  16  19
ENDBRANCH   8  13
BRANCH  10  25
ATOM     25  C   LIG    1       -2.345  -1.046  -1.298  0.00  0.00    +0.107 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.692  -0.531   0.104  0.00  0.00    +0.022 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.228   0.913   0.105  0.00  0.00    -0.005 C 
ATOM     28  C   LIG    1       -2.168   1.938  -0.330  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1       -2.685   3.363  -0.165  0.00  0.00    +0.160 C 
ATOM     30  O   LIG    1       -3.110   3.598   1.175  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -4.183   2.741   1.556  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1       -3.749   1.282   1.503  0.00  0.00    +0.031 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5