REMARK  Name = BDB012114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.388  -0.463  -0.889  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.900  -0.844  -1.447  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1        1.060  -1.433  -2.821  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.957  -0.595  -0.568  0.00  0.00    +0.022 A 
ATOM      5  S   LIG    1        1.374  -0.025   0.940  0.00  0.00    -0.098 S 
ATOM      6  C   LIG    1       -0.236   0.007   0.402  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.783  -0.629  -0.766  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -2.626  -0.952   0.181  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.681  -0.531  -1.587  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1       -1.768  -0.517  -2.811  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -4.093  -0.903  -1.312  0.00  0.00    +0.145 C 
BRANCH  11  18
ATOM     12  C   LIG    1       -8.195   0.837   2.423  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -7.145   0.481   1.417  0.00  0.00    +0.016 A 
ATOM     14  N   LIG    1       -6.414  -0.657   1.650  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1       -6.585  -1.210   2.481  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1       -5.409  -1.113   0.836  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1       -4.755  -2.112   1.124  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1       -5.134  -0.319  -0.405  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -5.853   0.806  -0.624  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -5.678   1.731  -1.797  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.885   1.209   0.321  0.00  0.00    +0.024 A 
ENDBRANCH  11  18
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   4  22
ATOM     22  C   LIG    1        3.440  -0.841  -0.817  0.00  0.00    +0.154 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.457  -0.321   0.228  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        4.639   1.205   0.222  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1        5.541   1.677   1.369  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        6.730   0.746   1.663  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        7.031  -0.165   0.471  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        5.832  -1.002   0.010  0.00  0.00    +0.008 C 
BRANCH  26  29
ATOM     29  N   LIG    1        6.487  -0.038   2.876  0.00  0.00    -0.327 NA
ATOM     30  H   LIG    1        7.271  -0.669   3.038  0.00  0.00    +0.118 HD
ATOM     31  H   LIG    1        5.667  -0.631   2.763  0.00  0.00    +0.118 HD
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  32
ATOM     32  O   LIG    1        3.751  -0.275  -2.093  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1        3.362   0.617  -2.110  0.00  0.00    +0.210 HD
ENDBRANCH  22  32
ENDBRANCH   4  22
TORSDOF 7