REMARK  Name = BDB046714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.260  -0.029   1.022  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        3.308  -0.786   0.329  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.940  -0.606   0.566  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.505   0.333   1.499  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        2.454   1.093   2.187  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.819   0.919   1.953  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        5.734  -0.206   0.754  0.00  0.00    +0.061 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.243   0.680  -0.387  0.00  0.00    +0.210 C 
BRANCH   8   9
ATOM      9  C   LIG    1        7.706   0.966  -0.185  0.00  0.00    +0.321 C 
ATOM     10  O   LIG    1        8.156   2.054   0.146  0.00  0.00    -0.250 OA
BRANCH   9  12
ATOM     11  C   LIG    1        9.861   0.041  -0.154  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1        8.458  -0.162  -0.366  0.00  0.00    -0.467 OA
ENDBRANCH   9  12
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1        5.925   0.077  -1.732  0.00  0.00    +0.319 C 
ATOM     14  O   LIG    1        5.015   0.477  -2.446  0.00  0.00    -0.250 OA
BRANCH  13  15
ATOM     15  O   LIG    1        6.675  -0.987  -2.097  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        7.412  -1.201  -1.486  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        0.209   0.617   1.826  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.836  -0.124   1.198  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.246   0.508  -0.131  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.304  -0.227  -0.746  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.595   0.082  -0.422  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -4.557  -0.657  -1.116  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -5.930  -0.466  -0.891  0.00  0.00    -0.041 A 
ATOM     24  C   LIG    1       -6.924  -1.266  -1.695  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -8.332  -1.246  -1.104  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -8.736   0.177  -0.739  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.804   0.739   0.334  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1       -6.344   0.506   0.035  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -5.377   1.236   0.738  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -4.012   1.028   0.511  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11