REMARK  Name = BDB052422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.280   2.178  -0.028  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -1.943   2.580  -0.288  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -1.346   3.857  -0.778  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1        0.133   3.993  -0.333  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        0.905   2.698  -0.381  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        0.289   1.474  -0.172  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1        0.924   0.294  -0.175  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        2.253   0.327  -0.369  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        2.944   1.465  -0.552  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        2.263   2.626  -0.549  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -1.154   1.479  -0.004  0.00  0.00    +0.092 A 
ATOM     12  N   LIG    1       -2.007   0.517   0.465  0.00  0.00    -0.258 N 
ATOM     13  N   LIG    1       -3.300   0.907   0.413  0.00  0.00    -0.165 NA
ENDROOT
BRANCH  12  14
ATOM     14  C   LIG    1       -1.680  -0.819   0.967  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -2.539  -1.240   2.180  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1       -2.482  -2.749   2.390  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -3.052  -3.508   1.191  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -2.937  -2.743  -0.129  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -1.694  -1.860  -0.170  0.00  0.00    +0.027 C 
ENDBRANCH  12  14
BRANCH   1  23
ATOM     20  N   LIG    1       -4.524   3.856  -1.225  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -3.891   3.716  -1.998  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.442   4.221  -1.444  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -4.525   2.943  -0.198  0.00  0.00    +0.262 C 
ATOM     24  O   LIG    1       -5.540   2.795   0.477  0.00  0.00    -0.269 OA
ENDBRANCH   1  23
BRANCH   8  25
ATOM     25  N   LIG    1        2.870  -0.920  -0.369  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1        2.169  -1.633  -0.235  0.00  0.00    +0.155 HD
BRANCH  25  27
ATOM     27  C   LIG    1        4.189  -1.357  -0.530  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        5.277  -0.503  -0.730  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        6.576  -1.004  -0.882  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.808  -2.375  -0.837  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.742  -3.245  -0.639  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.447  -2.738  -0.487  0.00  0.00    +0.023 A 
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 4