REMARK  Name = BDB017835
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.704  -2.002   0.052  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.492  -1.489   0.775  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.628  -1.641   2.158  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        0.354  -1.194   3.023  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.497  -0.595   2.480  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.652  -0.433   1.086  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.944  -2.267   2.497  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        0.633  -0.886   0.231  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -2.342  -2.883   1.146  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.832   0.198   0.507  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        2.937   0.492  -0.852  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.117   1.037  -0.973  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        4.937   1.604  -2.059  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        6.028   2.362  -1.259  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        6.073   1.701   0.132  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        4.762   1.099   0.220  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        3.982   0.583   1.186  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     18  O   LIG    1       -3.920  -2.192  -1.658  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -3.618  -1.092  -1.205  0.00  0.00    +0.247 C 
ATOM     20  N   LIG    1       -2.559  -0.906  -0.349  0.00  0.00    -0.304 N 
ATOM     21  H   LIG    1       -2.333   0.019  -0.001  0.00  0.00    +0.150 HD
BRANCH  19  22
ATOM     22  C   LIG    1       -4.417   0.103  -1.583  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1       -4.170   1.375  -1.077  0.00  0.00    +0.153 A 
ATOM     24  F   LIG    1       -3.184   1.615  -0.201  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1       -4.974   2.421  -1.493  0.00  0.00    +0.149 A 
ATOM     26  N   LIG    1       -5.997   2.284  -2.368  0.00  0.00    -0.260 NA
ATOM     27  C   LIG    1       -6.221   1.041  -2.848  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -5.470  -0.065  -2.490  0.00  0.00    +0.035 A 
ENDBRANCH  19  22
ENDBRANCH   1  20
TORSDOF 3