REMARK  Name = BDB055751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.779  -1.440  -0.516  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.485  -1.746   0.055  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.882  -3.073   0.229  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.020  -4.102  -0.171  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.229  -3.817  -0.739  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.624  -2.489  -0.907  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.400   1.798  -1.090  0.00  0.00    +0.054 C 
ATOM      8  C   LIG    1       -3.010   0.712  -2.103  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1       -1.534   0.339  -2.012  0.00  0.00    +0.106 C 
ATOM     10  N   LIG    1       -1.153  -0.080  -0.647  0.00  0.00    -0.328 N 
ATOM     11  C   LIG    1       -2.041   0.352   0.449  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1       -2.522   1.772   0.169  0.00  0.00    +0.037 C 
BRANCH   7  13
ATOM     13  N   LIG    1       -3.375   3.130  -1.701  0.00  0.00    -0.327 NA
ATOM     14  H   LIG    1       -2.423   3.374  -1.973  0.00  0.00    +0.118 HD
ATOM     15  H   LIG    1       -3.657   3.830  -1.015  0.00  0.00    +0.118 HD
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   2  16
ATOM     16  N   LIG    1        1.277  -0.631   0.401  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        0.826   0.249   0.153  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        2.535  -0.606   0.955  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        3.195  -1.586   1.283  0.00  0.00    -0.270 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.098   0.745   1.240  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        2.942   1.872   0.420  0.00  0.00    +0.053 A 
ATOM     22 CL   LIG    1        2.104   1.849  -1.091  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        3.512   3.095   0.799  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        4.244   3.202   1.982  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.418   2.085   2.792  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.852   0.864   2.422  0.00  0.00    +0.014 A 
ENDBRANCH  18  20
ENDBRANCH   2  16
BRANCH   4  27
ATOM     27  N   LIG    1        0.425  -5.503   0.007  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        1.484  -5.732   0.607  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1       -0.323  -6.379  -0.453  0.00  0.00    -0.126 OA
ENDBRANCH   4  27
TORSDOF 5