REMARK  Name = BDB040780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.391   0.850  -1.533  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.213   1.703  -1.024  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -0.626   0.565  -1.284  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1        0.483  -0.351  -1.195  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.937   0.353  -0.812  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.451  -0.940  -0.668  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.754  -1.141  -0.210  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.204  -2.399  -0.093  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.590  -0.074   0.111  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.075   1.212  -0.053  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -4.845   2.276   0.221  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.775   1.430  -0.508  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -5.997  -0.315   0.611  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -6.253   0.338   1.968  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -5.396   0.444   2.843  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -7.543   0.745   2.216  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -7.707   1.154   3.126  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.656   0.551   1.438  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.774   0.856   1.842  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.436  -0.125   0.107  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.035   0.146  -0.418  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  N   LIG    1        2.569   0.962  -0.719  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        2.862   1.910  -0.514  0.00  0.00    +0.151 HD
BRANCH  22  26
ATOM     24  C   LIG    1        5.519  -0.688  -0.443  0.00  0.00    +0.250 A 
ATOM     25  O   LIG    1        4.750   0.428  -0.231  0.00  0.00    -0.405 OA
ATOM     26  C   LIG    1        3.557   0.052  -0.777  0.00  0.00    +0.308 A 
ATOM     27  N   LIG    1        3.586  -1.162  -1.279  0.00  0.00    -0.092 NA
ATOM     28  N   LIG    1        4.860  -1.645  -1.065  0.00  0.00    -0.106 NA
BRANCH  24  32
ATOM     29  C   LIG    1        9.579  -0.649   0.911  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        8.762   0.464   1.130  0.00  0.00    +0.019 A 
ATOM     31  C   LIG    1        7.432   0.460   0.691  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        6.899  -0.655   0.026  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        7.730  -1.767  -0.187  0.00  0.00    +0.014 A 
ATOM     34  C   LIG    1        9.060  -1.766   0.251  0.00  0.00    +0.019 A 
BRANCH  29  36
ATOM     35  N   LIG    1       12.042  -0.636   1.725  0.00  0.00    -0.191 NA
ATOM     36  C   LIG    1       10.940  -0.644   1.361  0.00  0.00    +0.099 C 
ENDBRANCH  29  36
ENDBRANCH  24  32
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 6