REMARK  Name = BDB036524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.511   0.856  -1.228  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        2.919  -0.030  -0.192  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        2.018  -0.984   0.306  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.744  -1.001  -0.256  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.315  -0.150  -1.255  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -1.031  -0.545  -1.483  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -1.381  -1.557  -0.685  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.265  -1.845   0.080  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.213   0.805  -1.765  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.134   2.680  -2.649  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        3.489   1.733  -1.649  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        4.231   0.122   0.330  0.00  0.00    -0.297 N 
ATOM     13  H   LIG    1        4.835   0.578  -0.356  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.760  -0.293   1.502  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        4.036  -0.493   2.646  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        3.043  -0.353   2.780  0.00  0.00    +0.190 HD
ATOM     17  N   LIG    1        4.774  -0.884   3.700  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        6.026  -0.886   3.226  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        7.158  -1.253   4.109  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1        6.070  -0.503   1.864  0.00  0.00    +0.068 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  21
ATOM     21  N   LIG    1       -1.875   0.058  -2.405  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -1.610   0.942  -2.828  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.523  -0.231  -2.497  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -3.689  -1.626  -2.845  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -4.049   0.806  -3.366  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.129   0.109  -0.869  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -4.968  -0.785  -0.200  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -5.418  -0.489   1.094  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -5.008   0.679   1.734  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -4.178   1.578   1.068  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -3.764   1.310  -0.242  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -5.471  -1.898  -0.813  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.886  -3.092  -0.287  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -2.951   2.218  -0.874  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -3.678   3.405  -1.207  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8