REMARK  Name = BDB055491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.913  -0.999  -1.020  0.00  0.00    +0.195 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.629  -1.197  -2.517  0.00  0.00    +0.235 C 
ATOM      3  O   LIG    1       -0.162  -0.542  -3.186  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.347  -2.217  -3.085  0.00  0.00    -0.328 N 
ATOM      5  H   LIG    1        2.163  -2.563  -2.594  0.00  0.00    +0.145 HD
ATOM      6  H   LIG    1        1.284  -2.332  -4.086  0.00  0.00    +0.145 HD
ENDBRANCH   1   2
BRANCH   1   9
ATOM      7  C   LIG    1        2.673   1.294  -1.880  0.00  0.00    +0.061 C 
ATOM      8  C   LIG    1        3.126   0.050  -1.153  0.00  0.00    +0.019 C 
ATOM      9  N   LIG    1        2.380  -0.938  -0.792  0.00  0.00    -0.279 NA
BRANCH   8  10
ATOM     10  C   LIG    1        4.600  -0.041  -0.797  0.00  0.00    +0.129 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.042   0.972   0.234  0.00  0.00    +0.169 C 
ATOM     12  O   LIG    1        4.316   1.896   0.597  0.00  0.00    -0.292 OA
BRANCH  11  13
ATOM     13  C   LIG    1        6.417   0.856   0.811  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        7.351  -0.077   0.343  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        8.625  -0.142   0.915  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        8.973   0.722   1.953  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        8.050   1.654   2.421  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        6.777   1.722   1.852  0.00  0.00    +0.011 A 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   9
BRANCH   1  19
ATOM     19  C   LIG    1        0.154   0.166  -0.372  0.00  0.00    +0.071 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.210  -0.245   0.140  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1       -2.340  -0.155  -0.681  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -3.597  -0.552  -0.213  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -3.739  -1.054   1.079  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -2.615  -1.136   1.904  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -1.358  -0.741   1.440  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -4.905  -1.468   1.660  0.00  0.00    -0.487 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.027  -1.724   0.809  0.00  0.00    +0.264 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.885  -0.504   0.556  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1       -7.637  -0.415  -0.626  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -8.457   0.689  -0.865  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.544   1.711   0.079  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.814   1.627   1.263  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.994   0.523   1.503  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10