REMARK  Name = BDB013383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.028  -0.021   0.855  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.794  -1.037   0.260  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.154  -0.844  -0.021  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.800   0.365   0.262  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -4.239   0.506  -0.065  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.931   1.823   0.201  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -6.317   1.941  -0.441  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -7.112   0.656  -0.270  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -6.377  -0.522  -0.910  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.905  -0.543  -0.594  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -4.205  -1.827  -0.898  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.788  -2.783  -1.400  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.042   1.381   0.851  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.875  -1.894  -0.597  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -2.428  -2.775  -0.808  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1       -0.682   1.195   1.136  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        1.484  -0.181   1.160  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1        1.936  -1.661   1.153  0.00  0.00    +0.032 C 
BRANCH  17  19
ATOM     19  C   LIG    1        1.790   0.353   2.517  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        2.024   0.790   3.568  0.00  0.00    -0.196 NA
ENDBRANCH  17  19
BRANCH  17  21
ATOM     21  C   LIG    1        2.257   0.640   0.079  0.00  0.00    +0.061 C 
BRANCH  21  24
ATOM     22  C   LIG    1        5.797  -0.514  -0.797  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        4.405  -0.377  -0.790  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        3.766   0.520   0.080  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        4.550   1.294   0.941  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.939   1.162   0.939  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.562   0.259   0.074  0.00  0.00    +0.045 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.686  -1.600  -1.747  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.275  -1.431  -1.693  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5