REMARK  Name = BDB055187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.828   0.441  -0.101  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1        2.757   1.192   0.408  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.562   0.603   0.882  0.00  0.00    -0.028 A 
ATOM      4  C   LIG    1        0.512   1.520   1.455  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -0.302   2.184   0.344  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -1.388   3.092   0.915  0.00  0.00    +0.083 C 
ATOM      7  C   LIG    1       -2.536   3.401  -0.020  0.00  0.00    +0.206 C 
ATOM      8  C   LIG    1       -2.592   2.678  -1.340  0.00  0.00    +0.263 C 
ATOM      9  C   LIG    1       -3.236   1.300  -1.451  0.00  0.00    +0.206 C 
ATOM     10  C   LIG    1       -3.717   0.689  -0.149  0.00  0.00    +0.083 C 
ATOM     11  C   LIG    1       -4.147  -0.768  -0.282  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -2.993  -1.790  -0.422  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.059  -1.965   0.814  0.00  0.00    +0.177 C 
ATOM     14  O   LIG    1       -0.933  -1.052   0.711  0.00  0.00    -0.458 OA
ATOM     15  C   LIG    1        0.228  -1.545   1.228  0.00  0.00    +0.343 C 
ATOM     16  O   LIG    1        0.350  -2.588   1.859  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -2.739  -1.787   2.170  0.00  0.00    +0.052 C 
ATOM     18  C   LIG    1       -3.617  -3.151  -0.778  0.00  0.00    +0.011 C 
ATOM     19  O   LIG    1       -3.340   0.757  -2.543  0.00  0.00    -0.289 OA
ATOM     20  O   LIG    1       -2.068   3.213  -2.306  0.00  0.00    -0.280 OA
ATOM     21  O   LIG    1       -3.470   4.133   0.285  0.00  0.00    -0.289 OA
ATOM     22  C   LIG    1        1.427  -0.792   0.799  0.00  0.00    +0.104 A 
ATOM     23  C   LIG    1        2.501  -1.551   0.305  0.00  0.00    +0.133 A 
ATOM     24  C   LIG    1        3.666  -0.941  -0.167  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   1  25
ATOM     25  N   LIG    1        4.928   1.126  -0.613  0.00  0.00    -0.344 N 
ATOM     26  H   LIG    1        5.077   2.030  -0.172  0.00  0.00    +0.146 HD
BRANCH  25  28
ATOM     27  C   LIG    1        6.155   0.024  -2.425  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        6.170   0.449  -0.965  0.00  0.00    +0.098 C 
ENDBRANCH  25  28
ENDBRANCH   1  25
BRANCH  23  29
ATOM     29  O   LIG    1        2.488  -2.924   0.254  0.00  0.00    -0.506 OA
ATOM     30  H   LIG    1        1.802  -3.254   0.873  0.00  0.00    +0.292 HD
ENDBRANCH  23  29
TORSDOF 3