REMARK  Name = BDB037909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.608   0.060  -0.245  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.392   1.228  -0.573  0.00  0.00    +0.002 A 
ATOM      3  C   LIG    1       -1.693   2.088  -1.423  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.259   3.292  -1.888  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.550   3.635  -1.480  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.264   2.804  -0.629  0.00  0.00    +0.001 A 
ATOM      7  S   LIG    1       -0.126   1.479  -1.787  0.00  0.00    -0.083 S 
ATOM      8  C   LIG    1       -3.699   1.610  -0.172  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -0.351   0.098  -0.817  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        0.672  -0.928  -0.737  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        1.928  -0.517  -0.330  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.255   0.514   0.654  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        3.647  -0.152   0.733  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1        4.313  -0.264   2.136  0.00  0.00    +0.229 C 
ATOM     15  O   LIG    1        3.852  -0.698   3.181  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1        5.575   0.230   2.027  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1        6.212   0.270   2.808  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        5.908   0.676   0.782  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1        6.982   1.161   0.472  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        4.734   0.474  -0.148  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1        2.972  -1.416   0.160  0.00  0.00    +0.126 C 
ATOM     22  O   LIG    1        0.443  -2.104  -1.016  0.00  0.00    -0.269 OA
ENDBRANCH   9  10
BRANCH   1  25
ATOM     23  C   LIG    1       -3.350  -2.998   1.074  0.00  0.00    +0.132 C 
ATOM     24  N   LIG    1       -3.021  -1.879   0.209  0.00  0.00    -0.304 N 
ATOM     25  C   LIG    1       -2.007  -1.021   0.648  0.00  0.00    +0.248 C 
ATOM     26  O   LIG    1       -1.459  -1.135   1.741  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1       -3.349  -2.052  -1.199  0.00  0.00    +0.132 C 
ENDBRANCH   1  25
TORSDOF 2