CuCO7UFF.out
         0         0        21
timestep         1        21         0         0    0.000100
°$M     
  -0.3918060   4.5285970  -3.0165430
C       
  -0.1882260   3.0207040  -1.7780170
O       
   0.6470230   2.2736660  -1.4360900
        
   2.9342750   5.7668920  -4.7579140
C       
   3.7646080   4.9027420  -3.2299040
O       
   4.4801620   3.9940910  -3.0101870
        
   1.6895810  -2.0801970   1.7837540
C       
   0.9275410  -3.8683670   2.1638100
O       
   0.8789640  -5.0533830   2.1656530
        
   4.0851790   1.6712490  -1.4851360
C       
   4.7644230   0.6189800   0.0479100
O       
   5.8603730   0.0953080   0.2147320
        
   2.7866320  -0.2725980   0.6368380
C       
   3.5783920  -1.5094600   1.9109570
O       
   4.5068360  -2.1701990   2.0880270
        
   7.5989800   2.9458920  -2.4272470
C       
   8.5420690   2.0162520  -1.0091120
O       
   9.4463280   1.2645470  -0.8602970
        
  13.3192650   1.4876440  -1.0846710
C       
  14.2664720   0.5611790   0.3508190
O       
  15.1250570  -0.2383040   0.5045510
timestep        21        21         0         0    0.000100
°$M     
   1.4045770   2.1216210  -2.2699900
C       
   2.1443810   2.8632010  -0.5651110
O       
   2.5875240   3.3060630   0.4539550
        
   4.9548450   4.1581070  -3.9262820
C       
   5.1493350   4.6354190  -1.9927760
O       
   5.2653430   4.9201290  -0.8367080
        
   2.9100430  -2.2062420   1.5848630
C       
   4.7042830  -3.0862540   1.4878410
O       
   5.7767250  -3.6130300   1.4300100
        
   5.5555330   0.0704000  -4.0703250
C       
   5.2797630   0.8081940  -2.2306790
O       
   5.1155230   1.2492370  -1.1310230
        
   2.6386060  -0.6750660  -0.4532010
C       
   3.1269880  -0.1792750   1.4665150
O       
   4.0569910   0.5042040   1.8600400
        
   9.0070620   2.1943850  -2.6219840
C       
   8.2688760   2.6772340  -0.8258810
O       
   7.8267860   2.9650360   0.2477690
        
   8.0559680  -1.6424510  -1.4570870
C       
   7.5484690  -0.8075250   0.2891820
O       
   7.2445060  -0.3081530   1.3328060