REMARK  Name = BDB008909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.385  -0.588   1.577  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.388  -0.030   2.388  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.892  -0.590   2.430  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.204  -1.715   1.657  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        0.198  -2.296   0.876  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.083  -1.742   0.842  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.780   0.010   1.568  0.00  0.00    +0.119 C 
BRANCH   7  12
ATOM      8  C   LIG    1       -4.913   4.088  -0.084  0.00  0.00    +0.007 C 
ATOM      9  C   LIG    1       -4.623   2.626  -0.412  0.00  0.00    -0.012 C 
ATOM     10  C   LIG    1       -5.248   1.690   0.629  0.00  0.00    +0.018 C 
ATOM     11  C   LIG    1       -4.881   0.230   0.349  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1       -3.437  -0.017   0.249  0.00  0.00    -0.298 NA
ATOM     13  C   LIG    1       -2.816   0.884  -0.734  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1       -3.115   2.370  -0.509  0.00  0.00    +0.018 C 
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  C   LIG    1        2.592  -2.310   1.689  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.220  -2.459   0.305  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1        3.693  -1.244  -0.433  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        3.598   0.124   0.181  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        4.454   1.169  -0.539  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        4.297   1.057  -2.051  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        4.701  -0.333  -2.545  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.206  -1.443  -1.661  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        4.303  -2.818  -2.213  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1        4.776  -3.035  -3.324  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1        3.842  -3.823  -1.405  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1        3.897  -4.770  -1.764  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1        3.302  -3.669  -0.167  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4