REMARK  Name = BDB041311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.183   0.251  -0.044  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        0.572   0.041   1.195  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1       -0.827   0.067   1.256  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.370  -0.181   2.516  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -0.650  -0.408   3.631  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.674  -0.397   3.459  0.00  0.00    +0.221 A 
ATOM      7  C   LIG    1       -1.582   0.317   0.088  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -0.988   0.496  -1.104  0.00  0.00    -0.239 NA
ATOM      9  N   LIG    1        1.313  -0.184   2.301  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        0.360   0.462  -1.146  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        5.447   0.130  -0.628  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        4.833   1.313  -0.195  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.441   1.385   0.004  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        2.841   2.681   0.483  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        2.645   0.241  -0.223  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1        3.271  -0.943  -0.652  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        4.652  -0.998  -0.852  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     18  C   LIG    1        6.942   0.065  -0.839  0.00  0.00    +0.116 C 
BRANCH  18  20
ATOM     19  C   LIG    1        9.015  -0.846  -0.026  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        7.568  -0.846   0.118  0.00  0.00    -0.315 NA
ATOM     21  H   LIG    1        7.317  -0.550   1.062  0.00  0.00    +0.122 HD
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   7  22
ATOM     22  N   LIG    1       -2.988   0.355   0.160  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -3.267   1.054   0.844  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.657   0.606  -1.116  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.145   0.538  -0.908  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.797  -0.649  -0.586  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.243  -2.000  -0.327  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.542  -2.806  -0.346  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.651  -1.923  -0.055  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.171  -0.682  -0.381  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.957   0.448  -0.480  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.328   1.649  -0.809  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.942   1.685  -1.019  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.376   2.862  -1.322  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6