REMARK  Name = BDB002974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.011  -0.404   1.292  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        0.949  -0.226   2.305  0.00  0.00    +0.086 A 
ATOM      3  S   LIG    1        0.476   0.947   3.439  0.00  0.00    -0.080 S 
ATOM      4  C   LIG    1       -0.975   1.268   2.615  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -1.114   0.490   1.484  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -2.313   0.622   0.670  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.496   1.748  -0.137  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -3.654   1.875  -0.910  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -4.651   0.886  -0.892  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -4.452  -0.239  -0.074  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.295  -0.372   0.700  0.00  0.00    +0.009 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.868   1.022  -1.709  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1       -7.144   0.945  -1.125  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -8.300   1.075  -1.900  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -8.199   1.283  -3.273  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.944   1.361  -3.872  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.789   1.232  -3.095  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
ENDBRANCH   5   6
BRANCH   2  18
ATOM     18  N   LIG    1        2.158  -0.892   2.441  0.00  0.00    -0.278 N 
ATOM     19  H   LIG    1        2.351  -1.581   1.720  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        3.180  -0.633   3.339  0.00  0.00    +0.231 C 
ATOM     21  O   LIG    1        3.208   0.218   4.222  0.00  0.00    -0.274 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.377  -1.565   3.116  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  N   LIG    1        5.041  -1.352   1.818  0.00  0.00    -0.307 NA
ATOM     24  H   LIG    1        4.355  -1.359   1.057  0.00  0.00    +0.122 HD
BRANCH  23  25
ATOM     25  C   LIG    1        5.714  -0.042   1.732  0.00  0.00    +0.096 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.840   1.048   1.059  0.00  0.00    +0.099 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.037   0.534  -0.081  0.00  0.00    -0.307 NA
ATOM     28  C   LIG    1        3.038   1.538  -0.467  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1        4.899   0.245  -1.235  0.00  0.00    +0.104 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   2  18
BRANCH   1  30
ATOM     30  C   LIG    1        0.159  -1.338   0.169  0.00  0.00    +0.342 C 
ATOM     31  O   LIG    1       -0.548  -1.319  -0.831  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        1.171  -2.244   0.356  0.00  0.00    -0.461 OA
BRANCH  32  34
ATOM     33  C   LIG    1        2.321  -2.664  -1.729  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        1.353  -3.206  -0.695  0.00  0.00    +0.229 C 
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH   1  30
TORSDOF 11