REMARK  Name = BDB034852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.836   0.778  -2.018  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.178   1.192  -1.345  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.077   0.584  -0.480  0.00  0.00    -0.276 N 
ATOM      4  C   LIG    1       -1.946   1.515   0.282  0.00  0.00    +0.116 C 
ATOM      5  C   LIG    1       -2.026   2.816  -0.520  0.00  0.00    +0.102 C 
ATOM      6  S   LIG    1       -0.491   2.932  -1.473  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.724  -0.643  -0.775  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -2.064  -1.003  -2.087  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.720  -2.208  -2.356  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.049  -3.072  -1.316  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.720  -2.734  -0.007  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.063  -1.530   0.261  0.00  0.00    +0.023 A 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     13  O   LIG    1        0.945  -1.386  -2.744  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.186  -0.537  -1.894  0.00  0.00    +0.271 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.910  -0.847  -0.659  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        2.628   0.017   0.234  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.082  -0.772   1.287  0.00  0.00    +0.139 A 
ATOM     18  N   LIG    1        3.774  -0.380   2.371  0.00  0.00    -0.237 NA
ATOM     19  C   LIG    1        4.049   0.944   2.372  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        3.682   1.845   1.384  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        2.712  -2.063   1.042  0.00  0.00    -0.345 N 
ATOM     22  H   LIG    1        2.942  -2.835   1.651  0.00  0.00    +0.167 HD
ATOM     23  C   LIG    1        2.959   1.385   0.283  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        2.011  -2.128  -0.130  0.00  0.00    +0.098 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   4  25
ATOM     25  C   LIG    1       -1.404   1.721   1.711  0.00  0.00    +0.179 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -0.137   2.362   1.756  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1        0.525   1.720   1.436  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 5