REMARK  Name = BDB061831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.997   1.571  -0.998  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        1.925   1.562   0.013  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.037   0.916  -1.741  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        1.164   0.661  -2.934  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.185   0.484  -1.007  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -0.871  -0.644  -1.480  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -2.029  -1.086  -0.810  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.921  -2.171  -1.020  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.885  -2.115  -0.041  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -3.624  -1.023   0.751  0.00  0.00    -0.342 N 
ATOM     11  C   LIG    1       -2.481  -0.381   0.310  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -1.812   0.760   0.785  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -0.661   1.182   0.107  0.00  0.00    +0.015 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -4.425  -0.653   1.913  0.00  0.00    +0.157 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.723   0.007   1.516  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1       -6.944  -0.651   1.720  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -8.137  -0.035   1.354  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -9.296  -0.676   1.556  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -8.146   1.232   0.784  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -6.940   1.896   0.575  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -5.735   1.288   0.939  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  C   LIG    1        3.278   1.915  -1.567  0.00  0.00    +0.140 C 
BRANCH  22  26
ATOM     23  C   LIG    1        6.155  -1.264  -0.912  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        5.892  -0.354   0.112  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1        4.959   0.690  -0.064  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        4.296   0.826  -1.305  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        4.559  -0.106  -2.321  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        5.481  -1.134  -2.125  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        4.688   1.640   1.080  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1        5.317   1.298   2.240  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        3.362   1.720   1.395  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        5.083   2.914   0.808  0.00  0.00    -0.166 F 
ENDBRANCH  25  29
BRANCH  23  34
ATOM     33  C   LIG    1        7.708  -2.524   0.379  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        7.033  -2.310  -0.855  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 7