REMARK  Name = BDB012115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.162   0.105  -0.321  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -0.027  -0.787  -0.149  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1        0.177  -2.031  -0.963  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        0.832  -0.349   0.861  0.00  0.00    +0.022 A 
ATOM      5  S   LIG    1        0.233   1.083   1.606  0.00  0.00    -0.098 S 
ATOM      6  C   LIG    1       -1.085   1.179   0.544  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -3.531   0.145  -0.937  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -4.152  -0.043  -1.714  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -2.223  -0.030  -1.320  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1       -1.990  -0.309  -2.495  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -4.072  -0.058   0.395  0.00  0.00    +0.145 C 
BRANCH  11  18
ATOM     12  C   LIG    1       -9.371   2.305   0.738  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -8.049   1.613   0.618  0.00  0.00    +0.016 A 
ATOM     14  N   LIG    1       -6.937   2.317   1.004  0.00  0.00    -0.326 N 
ATOM     15  H   LIG    1       -7.029   3.265   1.354  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1       -5.654   1.840   0.943  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1       -4.702   2.526   1.300  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1       -5.484   0.441   0.422  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -6.585  -0.253   0.060  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -6.590  -1.662  -0.470  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -7.900   0.364   0.154  0.00  0.00    +0.024 A 
ENDBRANCH  11  18
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   4  22
ATOM     22  C   LIG    1        2.142  -0.910   1.389  0.00  0.00    +0.154 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.376  -0.053   1.001  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        3.686  -0.040  -0.517  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1        4.888  -0.898  -0.904  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        6.182  -0.524  -0.142  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1        5.886   0.110   1.236  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        4.608  -0.466   1.837  0.00  0.00    +0.008 C 
BRANCH  26  29
ATOM     29  N   LIG    1        7.173   0.295  -0.868  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1        6.633   1.511  -1.478  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        7.896  -0.483  -1.873  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  32
ATOM     32  O   LIG    1        2.288  -2.249   0.917  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1        2.987  -2.666   1.449  0.00  0.00    +0.210 HD
ENDBRANCH  22  32
ENDBRANCH   4  22
TORSDOF 7