REMARK  Name = BDB041951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.206   1.004  -0.369  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1        0.080   1.253   0.390  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.195   1.418   1.382  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.164   0.527  -1.499  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        3.637   0.479   0.047  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.513   1.309   0.279  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        2.618   2.459   1.083  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.823   2.771   1.707  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.922   1.937   1.535  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        4.825   0.800   0.724  0.00  0.00    +0.023 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.689  -1.213  -1.400  0.00  0.00    +0.125 C 
ATOM     12  N   LIG    1        3.516  -0.707  -0.707  0.00  0.00    -0.346 N 
ATOM     13  H   LIG    1        2.715  -0.618  -1.349  0.00  0.00    +0.146 HD
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1       -1.243   0.882  -0.081  0.00  0.00    +0.124 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.502  -0.629  -0.003  0.00  0.00    +0.136 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.922  -0.945  -0.132  0.00  0.00    -0.225 N 
ATOM     17  C   LIG    1       -3.428  -1.157  -1.403  0.00  0.00    +0.309 C 
ATOM     18  O   LIG    1       -2.754  -1.196  -2.428  0.00  0.00    -0.252 OA
ATOM     19  N   LIG    1       -4.781  -1.312  -1.496  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1       -5.118  -1.338  -2.453  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1       -5.662  -0.913  -0.436  0.00  0.00    +0.115 C 
ATOM     22  C   LIG    1       -5.115  -1.389   0.883  0.00  0.00    +0.115 C 
ATOM     23  C   LIG    1       -3.700  -0.893   1.021  0.00  0.00    +0.225 C 
ATOM     24  O   LIG    1       -3.275  -0.506   2.110  0.00  0.00    -0.275 OA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 5