REMARK  Name = BDB036475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.245  -1.686  -0.442  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        2.872  -0.425  -0.235  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        2.143   0.755  -0.442  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.818   0.618  -0.844  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.180  -0.589  -1.050  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -1.135  -0.218  -1.435  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -1.278   1.109  -1.464  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.051   1.633  -1.093  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        0.902  -1.780  -0.847  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        2.516  -4.065  -0.453  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        3.060  -2.774  -0.210  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        4.227  -0.426   0.177  0.00  0.00    -0.279 N 
ATOM     13  H   LIG    1        4.581  -1.373   0.263  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.113   0.541   0.459  0.00  0.00    +0.239 A 
ATOM     15  N   LIG    1        6.376   0.297   0.828  0.00  0.00    -0.134 NA
ATOM     16  N   LIG    1        6.862   1.536   0.994  0.00  0.00    -0.253 N 
ATOM     17  C   LIG    1        8.227   1.738   1.398  0.00  0.00    +0.174 C 
ATOM     18  C   LIG    1        5.920   2.473   0.735  0.00  0.00    +0.220 A 
ATOM     19  N   LIG    1        4.803   1.875   0.395  0.00  0.00    -0.202 NA
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.146  -1.124  -1.728  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -2.024  -2.102  -1.489  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -3.759  -0.702  -1.904  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -4.492  -1.955  -1.882  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.846   0.171  -3.056  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.165   0.154  -0.409  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -3.833  -0.429   0.823  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -4.085   0.252   2.018  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -4.728   1.487   1.994  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -5.110   2.045   0.776  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -4.816   1.391  -0.427  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -3.203  -1.648   0.878  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.073  -2.646   1.421  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1       -5.292   1.939  -1.585  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -4.523   3.080  -1.974  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 8