REMARK  Name = BDB003080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.752   0.805  -1.336  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -0.881  -0.588  -0.878  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.055  -0.979  -0.221  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.208  -2.286   0.263  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -1.194  -3.228   0.079  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1       -0.026  -2.860  -0.618  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1       -3.170  -0.005  -0.051  0.00  0.00    +0.259 A 
ATOM      8  O   LIG    1       -4.194  -0.353   0.531  0.00  0.00    -0.267 OA
ATOM      9  N   LIG    1       -2.973   1.273  -0.583  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1        0.119  -1.549  -1.093  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -1.788   1.645  -1.194  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        1.583   1.289  -1.111  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1        1.501   0.705  -0.289  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        0.477   1.405  -1.923  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1        0.466   1.960  -3.013  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        2.916   1.552  -1.616  0.00  0.00    +0.107 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.902   1.945  -0.520  0.00  0.00    +0.047 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.099   0.886   0.562  0.00  0.00    +0.161 C 
BRANCH  18  19
ATOM     19  O   LIG    1        4.401  -0.369  -0.041  0.00  0.00    -0.380 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.955  -1.379   1.541  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1        4.578  -1.424   0.905  0.00  0.00    +0.156 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   6  22
ATOM     22  O   LIG    1        0.924  -3.840  -0.767  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        1.962  -3.610  -1.712  0.00  0.00    +0.277 C 
ENDBRANCH   6  22
BRANCH   5  24
ATOM     24  O   LIG    1       -1.248  -4.525   0.523  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -2.424  -4.940   1.205  0.00  0.00    +0.277 C 
ENDBRANCH   5  24
BRANCH   9  26
ATOM     26  C   LIG    1       -4.052   2.256  -0.453  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.128   2.903   0.944  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -2.907   3.775   1.242  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -5.402   3.742   1.057  0.00  0.00    +0.009 C 
ENDBRANCH  26  27
ENDBRANCH   9  26
TORSDOF 10