REMARK  Name = BDB014381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.494   0.006   1.321  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -0.296  -1.243   1.444  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1       -0.807  -1.765   0.076  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.541  -0.708  -0.669  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.712   0.514  -0.822  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -0.227   1.049   0.548  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.853  -0.504  -0.384  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -3.745  -1.546  -0.396  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.512  -2.498  -0.629  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.992  -1.062  -0.098  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -4.800   0.309   0.060  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -5.910   1.122   0.372  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -7.171   0.517   0.512  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -7.314  -0.856   0.342  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -8.528  -1.406   0.480  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -6.235  -1.684   0.032  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -3.469   0.630  -0.138  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -5.789   2.587   0.553  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -6.761   3.280   0.829  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -4.550   3.138   0.401  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -3.746   2.565   0.159  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -4.443   4.136   0.508  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        4.490  -0.538   0.237  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        3.558  -1.560   0.207  0.00  0.00    +0.126 A 
ATOM     25  N   LIG    1        2.251  -1.401   0.540  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        1.832  -0.182   0.949  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        2.735   0.881   1.051  0.00  0.00    +0.044 A 
ATOM     28  C   LIG    1        4.074   0.706   0.697  0.00  0.00    +0.018 A 
BRANCH  23  31
ATOM     29  C   LIG    1        5.971   1.009  -1.851  0.00  0.00    +0.132 C 
ATOM     30  N   LIG    1        6.592   0.066  -0.930  0.00  0.00    -0.304 N 
ATOM     31  C   LIG    1        5.891  -0.828  -0.122  0.00  0.00    +0.248 C 
ATOM     32  O   LIG    1        6.387  -1.856   0.334  0.00  0.00    -0.270 OA
ATOM     33  C   LIG    1        8.017  -0.155  -1.113  0.00  0.00    +0.132 C 
ENDBRANCH  23  31
ENDBRANCH   1  26
TORSDOF 4