REMARK  Name = BDB058059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.759  -0.925  -0.236  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -0.656  -0.884   0.622  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.285   0.145   0.504  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.118   1.155  -0.449  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.971   1.109  -1.317  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.899   0.069  -1.217  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -7.099  -0.036   0.170  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -6.051  -0.938   0.119  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -4.711  -0.644  -0.011  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -4.043  -1.862  -0.018  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -5.000  -2.989   0.115  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -4.782  -4.179   0.145  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -2.718  -2.027  -0.113  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -6.289  -2.312   0.196  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -7.554  -2.851   0.323  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -8.623  -1.957   0.371  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -8.398  -0.566   0.294  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -5.671   1.952   0.097  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -5.576   2.959   0.107  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.838   1.390   0.218  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -6.936   1.439   0.097  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -7.908   2.183   0.047  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   3  23
ATOM     23  C   LIG    1        1.417   0.190   1.455  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        2.714   0.303   0.953  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1        3.108  -0.265  -0.347  0.00  0.00    +0.127 C 
ATOM     26  C   LIG    1        4.397   0.370  -0.898  0.00  0.00    +0.125 C 
ATOM     27  N   LIG    1        5.478   0.307   0.111  0.00  0.00    -0.311 N 
ATOM     28  C   LIG    1        5.095   0.954   1.388  0.00  0.00    +0.125 C 
ATOM     29  C   LIG    1        3.797   0.337   1.941  0.00  0.00    +0.127 C 
ATOM     30  O   LIG    1        1.153   0.149   2.654  0.00  0.00    -0.270 OA
BRANCH  27  31
ATOM     31  C   LIG    1        6.712   0.778  -0.387  0.00  0.00    +0.140 A 
ATOM     32  N   LIG    1        6.775   1.350  -1.612  0.00  0.00    -0.237 NA
ATOM     33  C   LIG    1        7.993   1.769  -2.033  0.00  0.00    +0.132 A 
ATOM     34  C   LIG    1        9.137   1.628  -1.271  0.00  0.00    +0.130 A 
ATOM     35  N   LIG    1        9.118   1.053  -0.054  0.00  0.00    -0.258 NA
ATOM     36  C   LIG    1        7.893   0.629   0.355  0.00  0.00    +0.154 A 
ENDBRANCH  27  31
ENDBRANCH   3  23
TORSDOF 4