REMARK  Name = BDB034607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.970  -0.420   1.149  0.00  0.00    -0.035 A 
ATOM      2  C   LIG    1        0.273  -0.303   0.483  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.459   0.072   1.137  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        1.410   0.359   2.497  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.203   0.264   3.188  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.964  -0.116   2.523  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.335  -0.832   0.355  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -2.205  -2.025  -0.646  0.00  0.00    +0.174 C 
ATOM      9  O   LIG    1       -2.814  -2.934   0.304  0.00  0.00    -0.378 OA
ATOM     10  C   LIG    1       -3.290  -1.819   1.091  0.00  0.00    +0.174 C 
BRANCH   7  11
ATOM     11  C   LIG    1       -2.972   0.474  -0.153  0.00  0.00    +0.092 C 
BRANCH  11  14
ATOM     12  C   LIG    1       -5.926   1.093   0.674  0.00  0.00    +0.151 C 
ATOM     13  N   LIG    1       -5.475   0.618  -0.606  0.00  0.00    -0.320 N 
ATOM     14  C   LIG    1       -4.190   0.340  -0.997  0.00  0.00    +0.134 A 
ATOM     15  N   LIG    1       -4.210  -0.013  -2.267  0.00  0.00    -0.135 NA
ATOM     16  N   LIG    1       -5.513  -0.002  -2.697  0.00  0.00    -0.138 NA
ATOM     17  C   LIG    1       -6.261   0.380  -1.690  0.00  0.00    +0.224 A 
ENDBRANCH  11  14
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  N   LIG    1        2.629   0.152   0.350  0.00  0.00    -0.279 N 
ATOM     19  H   LIG    1        2.523  -0.129  -0.615  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        3.926   0.404   0.784  0.00  0.00    +0.284 C 
ATOM     21  O   LIG    1        4.257   0.531   1.958  0.00  0.00    -0.267 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.885   0.501  -0.314  0.00  0.00    +0.195 A 
ATOM     23  N   LIG    1        4.654   1.091  -1.535  0.00  0.00    -0.340 N 
ATOM     24  H   LIG    1        3.800   1.561  -1.804  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        5.793   0.995  -2.284  0.00  0.00    +0.117 A 
ATOM     26  C   LIG    1        6.720   0.352  -1.482  0.00  0.00    +0.162 A 
ATOM     27  N   LIG    1        6.130   0.061  -0.258  0.00  0.00    -0.220 NA
BRANCH  26  28
ATOM     28  C   LIG    1        8.147  -0.005  -1.794  0.00  0.00    +0.436 C 
ATOM     29  F   LIG    1        8.383  -1.339  -1.683  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1        9.031   0.630  -0.982  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1        8.481   0.339  -3.070  0.00  0.00    -0.164 F 
ENDBRANCH  26  28
ENDBRANCH  20  22
ENDBRANCH   3  18
TORSDOF 6