REMARK  Name = BDB014917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.958  -0.708  -0.098  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -2.191  -1.411  -0.087  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -2.502  -2.842  -0.345  0.00  0.00    +0.149 C 
ATOM      4  N   LIG    1       -3.957  -3.086  -0.321  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1       -4.781  -2.265   0.593  0.00  0.00    +0.116 C 
ATOM      6  C   LIG    1       -4.587  -0.748   0.387  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -4.386  -4.226  -0.957  0.00  0.00    +0.300 C 
ATOM      8  O   LIG    1       -3.678  -4.933  -1.666  0.00  0.00    -0.253 OA
ATOM      9  N   LIG    1       -5.684  -4.570  -0.780  0.00  0.00    -0.313 N 
ATOM     10  H   LIG    1       -6.030  -4.531   0.166  0.00  0.00    +0.146 HD
ATOM     11  H   LIG    1       -5.895  -5.452  -1.233  0.00  0.00    +0.146 HD
ATOM     12  C   LIG    1       -3.139  -0.469   0.249  0.00  0.00    +0.048 A 
ATOM     13  N   LIG    1       -2.480   0.712   0.385  0.00  0.00    -0.261 N 
ATOM     14  N   LIG    1       -1.153   0.578   0.211  0.00  0.00    -0.155 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -3.037   2.004   0.699  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -2.582   3.140  -0.202  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -2.816   4.354   0.537  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -2.975   4.012   1.922  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.663   2.537   2.067  0.00  0.00    +0.057 C 
ENDBRANCH  13  15
BRANCH   1  20
ATOM     20  N   LIG    1        0.216  -1.319  -0.382  0.00  0.00    -0.296 N 
ATOM     21  H   LIG    1        0.200  -2.304  -0.630  0.00  0.00    +0.154 HD
BRANCH  20  26
ATOM     22  C   LIG    1        4.261  -0.006  -0.619  0.00  0.00    -0.012 A 
ATOM     23  C   LIG    1        3.907  -1.335  -0.862  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        2.571  -1.725  -0.777  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        2.261  -3.010  -1.019  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        1.541  -0.828  -0.450  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        1.907   0.495  -0.202  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        3.247   0.903  -0.285  0.00  0.00    +0.010 A 
BRANCH  22  33
ATOM     29  C   LIG    1        8.362   2.717  -1.280  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.452   1.632  -1.006  0.00  0.00    -0.274 N 
ATOM     31  N   LIG    1        7.944   0.418  -0.704  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.849  -0.325  -0.523  0.00  0.00    +0.142 A 
ATOM     33  C   LIG    1        5.651   0.408  -0.703  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        6.088   1.678  -1.020  0.00  0.00    +0.116 A 
ENDBRANCH  22  33
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 4