REMARK  Name = BDB037263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.462  -1.438   0.758  0.00  0.00    -0.219 N 
ATOM      2  H   LIG    1        0.060  -1.877   0.017  0.00  0.00    +0.166 HD
ATOM      3  C   LIG    1       -0.138  -0.173   1.152  0.00  0.00    +0.274 C 
ATOM      4  O   LIG    1       -0.807   0.559   1.871  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.158   0.305   0.579  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.741  -0.510  -0.340  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.908  -0.088  -0.872  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.518   1.124  -0.548  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.882   1.938   0.400  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.683   1.527   0.972  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.509  -0.861  -1.842  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.005  -2.190  -1.905  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.833   1.533  -1.155  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.957   1.077  -0.347  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.601  -0.066  -0.659  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.561  -0.153   0.264  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.553   0.939   1.150  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.511   1.727   0.723  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.984  -2.073   0.986  0.00  0.00    +0.160 S 
ATOM     20  O   LIG    1       -2.079  -2.191   2.426  0.00  0.00    -0.223 OA
ATOM     21  N   LIG    1       -1.952  -3.276   0.027  0.00  0.00    -0.232 NA
ATOM     22  H   LIG    1       -2.827  -3.796   0.116  0.00  0.00    +0.199 HD
BRANCH  19  24
ATOM     23  C   LIG    1       -4.507  -1.002   1.004  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -3.250  -0.986   0.386  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -3.011  -0.124  -0.700  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -4.034   0.742  -1.115  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -5.285   0.747  -0.483  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1       -6.383   1.644  -0.975  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.523  -0.151   0.559  0.00  0.00    +0.050 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -4.957  -1.305   3.247  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.811  -1.927   1.967  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  25  32
ATOM     32  O   LIG    1       -1.794  -0.203  -1.321  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1       -1.542   0.647  -2.433  0.00  0.00    +0.277 C 
ENDBRANCH  25  32
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8