REMARK  Name = BDB060303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.438  -0.826   0.489  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.192   0.046  -0.568  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1        1.022   0.434  -1.167  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.990   0.987  -2.268  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -1.373   0.544  -1.015  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1       -2.264   0.054  -0.141  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.708  -0.791   0.799  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.364   0.222  -0.577  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        2.630   0.555   0.758  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        3.917   0.379   1.279  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        4.939  -0.115   0.455  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        4.683  -0.426  -0.887  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        3.395  -0.249  -1.402  0.00  0.00    +0.015 A 
BRANCH  11  14
ATOM     14  N   LIG    1        6.290  -0.301   1.002  0.00  0.00    +0.056 N 
ATOM     15  O   LIG    1        6.480   0.016   2.184  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1        7.154  -0.771   0.250  0.00  0.00    -0.126 OA
ENDBRANCH  11  14
ENDBRANCH   3   8
BRANCH   6  17
ATOM     17  C   LIG    1       -3.706   0.352  -0.159  0.00  0.00    +0.110 A 
ATOM     18  N   LIG    1       -4.162   1.205  -1.114  0.00  0.00    -0.252 NA
ATOM     19  C   LIG    1       -5.483   1.478  -1.128  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -6.390   0.943  -0.230  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -5.914   0.073   0.744  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -4.554  -0.228   0.782  0.00  0.00    +0.031 A 
ENDBRANCH   6  17
BRANCH   1  23
ATOM     23  N   LIG    1        0.472  -1.625   1.092  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1        0.051  -2.300   1.729  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        1.175  -2.083   0.517  0.00  0.00    +0.145 HD
ENDBRANCH   1  23
TORSDOF 4