REMARK  Name = BDB048252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.473  -1.263  -0.626  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1       -2.418  -0.760   0.272  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.685  -1.453   1.448  0.00  0.00    +0.124 A 
ATOM      4  N   LIG    1       -2.034  -2.595   1.762  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1       -1.133  -3.072   0.877  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -0.826  -2.456  -0.321  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  14
ATOM      7  N   LIG    1        3.502   1.199  -2.804  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.263   0.836  -2.744  0.00  0.00    +0.168 C 
ATOM      9  N   LIG    1        1.371   1.135  -3.743  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1        1.774   1.879  -4.918  0.00  0.00    +0.140 C 
ATOM     11  C   LIG    1        0.077   0.696  -3.580  0.00  0.00    +0.259 C 
ATOM     12  O   LIG    1       -0.850   0.860  -4.360  0.00  0.00    -0.269 OA
ATOM     13  C   LIG    1       -0.051  -0.035  -2.288  0.00  0.00    +0.078 C 
ATOM     14  C   LIG    1       -1.222  -0.543  -1.880  0.00  0.00    +0.028 C 
ATOM     15  S   LIG    1        1.464  -0.066  -1.475  0.00  0.00    -0.049 S 
BRANCH   7  19
ATOM     16  C   LIG    1        6.185   0.236   0.300  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        5.435   1.418   0.351  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        4.546   1.736  -0.679  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.379   0.871  -1.762  0.00  0.00    +0.067 A 
ATOM     20  C   LIG    1        5.136  -0.301  -1.823  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        6.027  -0.623  -0.795  0.00  0.00    +0.006 A 
BRANCH  16  23
ATOM     22  C   LIG    1        6.441  -0.929   2.506  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1        7.131  -0.118   1.419  0.00  0.00    +0.032 C 
ENDBRANCH  16  23
ENDBRANCH   7  19
ENDBRANCH   1  14
BRANCH   3  24
ATOM     24  N   LIG    1       -3.587  -0.999   2.412  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1       -3.640  -1.717   3.125  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.801  -0.315   2.234  0.00  0.00    +0.124 A 
ATOM     27  N   LIG    1       -5.267  -0.022   1.000  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1       -6.436   0.661   0.896  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1       -7.179   1.089   1.983  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1       -6.691   0.801   3.254  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -5.491   0.097   3.377  0.00  0.00    +0.044 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -8.432   1.825   1.740  0.00  0.00    +0.338 C 
ATOM     33  O   LIG    1       -8.893   2.105   0.650  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -9.055   2.178   2.879  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -9.859   2.652   2.576  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 7