REMARK  Name = BDB008834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.147  -0.588  -1.695  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.843  -0.088  -1.816  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.275  -0.905  -1.579  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.069  -2.249  -1.247  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.225  -2.752  -1.124  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.329  -1.924  -1.343  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.563   0.074  -1.878  0.00  0.00    +0.231 C 
ATOM      8  N   LIG    1        3.201   0.305  -1.943  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        2.974   1.265  -2.195  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        5.123  -0.978  -1.590  0.00  0.00    -0.274 OA
BRANCH   7  11
ATOM     11  C   LIG    1        5.372   1.321  -2.266  0.00  0.00    +0.175 C 
BRANCH  11  12
ATOM     12  N   LIG    1        4.577   2.558  -2.079  0.00  0.00    -0.322 NA
ATOM     13  H   LIG    1        4.487   2.718  -1.072  0.00  0.00    +0.119 HD
ATOM     14  H   LIG    1        5.137   3.341  -2.420  0.00  0.00    +0.119 HD
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1       -1.672  -0.349  -1.728  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.592  -0.668  -0.552  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -2.382   0.017   0.763  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -1.304   1.050   0.937  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -1.462   1.881   2.214  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -1.810   0.996   3.404  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.112   0.231   3.156  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -3.207  -0.335   1.765  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.279  -1.335   1.532  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -5.059  -1.666   2.419  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -4.346  -1.856   0.268  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -5.071  -2.542   0.088  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -3.525  -1.547  -0.769  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 5