REMARK  Name = BDB040769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.411   0.992  -0.832  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.606   0.174  -1.694  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        0.623   0.887  -1.101  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1       -0.318   1.246   0.067  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -5.512   0.487   0.161  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -4.649   1.204   0.986  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1       -5.111   1.745   2.123  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -3.301   1.373   0.668  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -2.768   0.815  -0.499  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -3.629   0.103  -1.339  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.974  -0.058  -1.006  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -5.758  -0.765  -1.833  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1      -10.757  -1.268  -0.060  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -9.621  -0.836   0.107  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -9.111   0.153  -0.696  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -9.727   0.498  -1.419  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -7.909   0.811  -0.573  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1       -7.668   1.787  -1.280  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.970   0.313   0.525  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -7.272  -1.145   0.885  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -8.742  -1.296   1.242  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1        1.755   0.005  -0.772  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        1.938  -0.851  -1.280  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        2.704   0.332   0.148  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        2.708   1.345   0.830  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.639  -0.647   0.194  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.731  -0.387   1.111  0.00  0.00    +0.212 C 
ATOM     28  C   LIG    1        5.778   0.663   0.694  0.00  0.00    +0.153 C 
ATOM     29  N   LIG    1        6.605  -0.428   0.261  0.00  0.00    -0.308 N 
ATOM     30  C   LIG    1        5.900  -1.385   1.057  0.00  0.00    +0.153 C 
BRANCH  29  31
ATOM     31  C   LIG    1        7.995  -0.347   0.069  0.00  0.00    +0.121 A 
ATOM     32  N   LIG    1        8.559   0.873  -0.076  0.00  0.00    -0.240 NA
ATOM     33  C   LIG    1        9.895   0.939  -0.269  0.00  0.00    +0.113 A 
ATOM     34  C   LIG    1       10.721  -0.168  -0.330  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       10.139  -1.419  -0.190  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        8.763  -1.510   0.010  0.00  0.00    +0.043 A 
ENDBRANCH  29  31
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   3  22
TORSDOF 6