REMARK  Name = BDB062422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.460  -1.162   0.895  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -2.118  -1.364  -0.322  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.385  -0.809  -0.540  0.00  0.00    +0.050 A 
ATOM      4  N   LIG    1       -4.001  -1.035  -1.776  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -3.536  -1.587  -2.485  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -5.236  -0.550  -2.125  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -5.962   0.265  -1.118  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.376   0.515   0.139  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -6.120   1.295   1.045  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -7.383   1.799   0.713  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.938   1.537  -0.535  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.228   0.769  -1.453  0.00  0.00    +0.014 A 
ATOM     13  O   LIG    1       -5.716  -0.786  -3.230  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -4.038  -0.040   0.440  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -3.364   0.150   1.657  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -2.096  -0.402   1.882  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -0.091  -1.758   1.145  0.00  0.00    +0.119 C 
BRANCH  17  21
ATOM     18  N   LIG    1        3.617   0.441   0.967  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1        3.336  -0.411   2.146  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1        2.180  -1.408   1.892  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1        0.935  -0.743   1.432  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        1.250   0.062   0.226  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1        2.379   1.090   0.480  0.00  0.00    +0.123 C 
BRANCH  18  28
ATOM     24  C   LIG    1        6.724   0.185  -2.801  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1        5.824  -0.236  -1.704  0.00  0.00    +0.036 A 
ATOM     26  N   LIG    1        5.183   0.626  -0.841  0.00  0.00    -0.319 N 
ATOM     27  C   LIG    1        5.351   2.059  -0.799  0.00  0.00    +0.152 C 
ATOM     28  C   LIG    1        4.406  -0.130   0.013  0.00  0.00    +0.198 A 
ATOM     29  N   LIG    1        4.588  -1.411  -0.215  0.00  0.00    -0.222 NA
ATOM     30  C   LIG    1        5.443  -1.489  -1.280  0.00  0.00    +0.135 A 
ENDBRANCH  18  28
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3