REMARK  Name = BDB036482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.975   0.194   0.273  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        1.134   1.003   1.081  0.00  0.00    +0.142 A 
ATOM      3  C   LIG    1       -0.072   0.509   1.610  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.458  -0.812   1.315  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        0.393  -1.571   0.532  0.00  0.00    +0.171 A 
ATOM      6  O   LIG    1       -0.126  -2.815   0.370  0.00  0.00    -0.353 OA
ATOM      7  N   LIG    1       -1.325  -2.905   1.047  0.00  0.00    -0.061 NA
ATOM      8  C   LIG    1       -1.536  -1.700   1.589  0.00  0.00    +0.188 A 
ATOM      9  C   LIG    1        1.599  -1.125  -0.006  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        3.189   0.758  -0.191  0.00  0.00    -0.294 N 
ATOM     11  H   LIG    1        3.166   1.772  -0.074  0.00  0.00    +0.154 HD
BRANCH  10  15
ATOM     12  N   LIG    1        5.989  -0.914  -1.395  0.00  0.00    -0.250 N 
ATOM     13  N   LIG    1        6.268   0.363  -1.701  0.00  0.00    -0.064 NA
ATOM     14  N   LIG    1        5.246   1.097  -1.278  0.00  0.00    -0.114 NA
ATOM     15  C   LIG    1        4.316   0.259  -0.725  0.00  0.00    +0.165 A 
ATOM     16  C   LIG    1        4.782  -1.031  -0.773  0.00  0.00    +0.154 A 
BRANCH  12  18
ATOM     17  C   LIG    1        6.806  -2.448  -3.136  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1        6.934  -1.964  -1.703  0.00  0.00    +0.142 C 
ENDBRANCH  12  18
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1        1.602   2.284   1.288  0.00  0.00    -0.493 OA
ATOM     20  C   LIG    1        0.799   3.151   2.083  0.00  0.00    +0.277 C 
ENDBRANCH   2  19
BRANCH   8  21
ATOM     21  N   LIG    1       -2.714  -1.516   2.303  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -3.337  -2.322   2.283  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.592  -0.090   2.351  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -4.948  -0.446   2.722  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -2.847   0.835   3.180  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.651   0.480   0.669  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -3.300   1.795   0.340  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -3.289   2.206  -0.995  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -3.677   1.325  -1.998  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -4.069   0.026  -1.674  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -4.058  -0.412  -0.343  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -2.890   2.714   1.265  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.996   3.497   1.720  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -4.434  -1.673   0.039  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -4.647  -2.644  -0.979  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 9