REMARK  Name = BDB031812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.827  -0.607  -0.179  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1       -0.654  -0.415   0.619  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.306  -1.238   0.049  0.00  0.00    +0.103 A 
ATOM      4  C   LIG    1        1.603  -1.343   0.541  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1        1.989  -0.579   1.657  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        1.016   0.245   2.251  0.00  0.00    +0.007 A 
ATOM      7  F   LIG    1        2.481  -2.165  -0.052  0.00  0.00    -0.203 F 
ATOM      8  N   LIG    1       -0.314  -1.841  -1.004  0.00  0.00    -0.272 N 
ATOM      9  H   LIG    1        0.082  -2.512  -1.652  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.294   0.343   1.750  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -1.589  -1.470  -1.172  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.390  -0.679   2.213  0.00  0.00    +0.043 C 
ATOM     13  C   LIG    1        4.597  -0.193   1.435  0.00  0.00    +0.081 C 
ATOM     14  C   LIG    1        4.568   0.440   0.072  0.00  0.00    -0.008 A 
ATOM     15  C   LIG    1        5.686  -0.031  -0.640  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        5.980   0.343  -1.936  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.107   1.242  -2.549  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        3.994   1.733  -1.852  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1        3.179   2.604  -2.461  0.00  0.00    -0.205 F 
ATOM     20  N   LIG    1        6.426  -0.893   0.172  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        7.280  -1.359  -0.090  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        3.715   1.344  -0.541  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        5.856  -1.030   1.425  0.00  0.00    +0.228 C 
ATOM     24  O   LIG    1        6.271  -1.689   2.363  0.00  0.00    -0.274 OA
ATOM     25  C   LIG    1        4.153   0.551   2.662  0.00  0.00    +0.031 C 
ENDBRANCH   5  12
BRANCH   1  26
ATOM     26  N   LIG    1       -2.977   0.054   0.084  0.00  0.00    -0.279 N 
ATOM     27  H   LIG    1       -3.022   0.667   0.889  0.00  0.00    +0.155 HD
BRANCH  26  29
ATOM     28  C   LIG    1       -5.256   0.806  -0.095  0.00  0.00    +0.178 A 
ATOM     29  C   LIG    1       -4.283  -0.138  -0.436  0.00  0.00    +0.170 A 
ATOM     30  N   LIG    1       -4.561  -1.171  -1.254  0.00  0.00    -0.214 NA
ATOM     31  C   LIG    1       -5.804  -1.271  -1.747  0.00  0.00    +0.128 A 
ATOM     32  C   LIG    1       -6.102  -2.437  -2.636  0.00  0.00    +0.088 C 
ATOM     33  N   LIG    1       -6.809  -0.424  -1.465  0.00  0.00    -0.237 NA
ATOM     34  C   LIG    1       -6.505   0.601  -0.644  0.00  0.00    +0.162 A 
BRANCH  28  36
ATOM     35  C   LIG    1       -5.867   2.819   1.006  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1       -4.889   1.816   0.755  0.00  0.00    -0.490 OA
ENDBRANCH  28  36
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 4