REMARK  Name = BDB037911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.965  -1.435   0.861  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -2.172  -0.827   0.573  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -3.450  -1.544   0.546  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1       -3.982  -0.370  -0.299  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1       -4.914  -0.715  -1.497  0.00  0.00    +0.229 C 
ATOM      6  O   LIG    1       -4.733  -1.501  -2.417  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -6.035   0.045  -1.373  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -6.793   0.010  -2.037  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -6.035   0.888  -0.302  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1       -6.928   1.669  -0.021  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.751   0.706   0.475  0.00  0.00    +0.115 C 
ATOM     12  C   LIG    1       -2.507  -0.045  -0.620  0.00  0.00    +0.126 C 
ATOM     13  O   LIG    1       -0.881  -2.541   1.385  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        2.656   0.617  -0.119  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.551  -0.765  -0.317  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        1.365  -1.424   0.014  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        0.275  -0.697   0.513  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        0.381   0.686   0.705  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        1.568   1.345   0.376  0.00  0.00    +0.014 A 
BRANCH  14  22
ATOM     20  C   LIG    1        6.323   1.527  -0.520  0.00  0.00    +0.132 C 
ATOM     21  N   LIG    1        5.117   0.896  -0.013  0.00  0.00    -0.304 N 
ATOM     22  C   LIG    1        3.889   1.345  -0.495  0.00  0.00    +0.246 C 
ATOM     23  O   LIG    1        3.763   2.315  -1.238  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1        5.286   0.040   1.153  0.00  0.00    +0.132 C 
ENDBRANCH  14  22
ENDBRANCH   1  17
TORSDOF 2