REMARK  Name = BDB034904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.804  -1.502  -0.811  0.00  0.00    +0.042 A 
ATOM      2  N   LIG    1       -1.250  -0.258  -0.379  0.00  0.00    -0.321 N 
ATOM      3  C   LIG    1       -0.098  -0.397   0.405  0.00  0.00    +0.166 A 
ATOM      4  N   LIG    1        0.595   0.547   0.944  0.00  0.00    -0.152 NA
ATOM      5  S   LIG    1        0.304  -2.134   0.526  0.00  0.00    -0.060 S 
ATOM      6  C   LIG    1       -1.086  -2.567  -0.412  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.907   1.051  -0.608  0.00  0.00    +0.089 C 
ATOM      8  C   LIG    1       -2.679   1.529   0.631  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1       -1.956   2.558   1.491  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1       -1.406   3.697   0.647  0.00  0.00    +0.000 C 
ATOM     11  C   LIG    1       -0.417   3.189  -0.390  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -0.999   2.095  -1.283  0.00  0.00    +0.025 C 
ENDBRANCH   2   7
BRANCH   4  13
ATOM     13  C   LIG    1        1.672   0.208   1.715  0.00  0.00    +0.272 C 
ATOM     14  O   LIG    1        1.588  -0.189   2.871  0.00  0.00    -0.268 OA
BRANCH  13  15
ATOM     15  C   LIG    1        2.952   0.430   1.040  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        4.260   0.175   1.569  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        5.179   0.527   0.587  0.00  0.00    +0.139 A 
ATOM     18  N   LIG    1        6.521   0.453   0.649  0.00  0.00    -0.237 NA
ATOM     19  C   LIG    1        6.966  -0.028   1.833  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        6.168  -0.418   2.900  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        4.487   0.979  -0.499  0.00  0.00    -0.345 N 
ATOM     22  H   LIG    1        4.929   1.297  -1.349  0.00  0.00    +0.167 HD
ATOM     23  C   LIG    1        4.781  -0.319   2.779  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        3.141   0.926  -0.246  0.00  0.00    +0.098 A 
ENDBRANCH  13  15
ENDBRANCH   4  13
BRANCH   1  25
ATOM     25  C   LIG    1       -3.086  -1.550  -1.631  0.00  0.00    +0.137 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -4.236  -3.625  -0.984  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1       -3.704  -2.804  -2.060  0.00  0.00    -0.303 NA
ATOM     28  C   LIG    1       -2.949  -3.554  -3.051  0.00  0.00    +0.105 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 5