0 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 7.02352 9.96083 9.21892 6.90646 8.14932 8.66921 12.192 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 9.3473 9.10915 9.82646 7.02352 9.96083 9.21892 7.89535 11.9527 5.54343 11.6449 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 7.89636 7.118 6.33557 8.24814 4.67917 5.64643 7.24623 12.2481 7.16583 11.6681 numMergedOcc 0
3 mol 75 unq 1 iso 0 dist 9.49608 7.118 9.95193 8.24814 5.10798 5.64643 7.24623 15.1992 7.16583 11.6681 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 9.10245 5.26938 5.39287 8.91602 11.6194 7.40574 5.38943 12.3515 9.1329 9.03114 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 9.10245 5.26938 5.39287 8.91602 11.6194 7.40574 6.69898 10.4317 6.8014 11.835 numMergedOcc 0
6 mol 87 unq 2 iso 0 dist 9.10245 8.91602 11.6194 5.26938 5.39287 7.40574 5.38943 12.3515 9.03114 9.1329 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 8.35604 5.39296 10.2788 9.38788 15.2064 6.09472 12.9952 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 7.67341 8.93552 11.909 8.35604 5.39296 10.2788 7.12394 11.1256 6.20658 7.83568 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 7.67341 8.35604 5.39296 8.93552 11.909 10.2788 7.12394 11.1256 7.83568 6.20658 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 8.98151 8.62711 6.75619 6.65963 5.38 7.30196 6.87199 12.2655 7.73139 11.1225 numMergedOcc 0
11 mol 127 unq 1 iso 0 dist 8.98151 8.62711 6.75619 6.65963 5.38 7.30196 12.663 13.273 6.66607 12.2522 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 8.98459 8.06091 11.0054 9.89142 6.89489 10.4637 10.9385 14.9296 8.15223 10.282 numMergedOcc 0
13 mol 219 unq 0 iso 0 dist 4.67452 8.09769 10.0509 7.24832 5.48556 7.02195 10.4254 12.0262 9.68515 12.6018 numMergedOcc 0
14 mol 219 unq 1 iso 0 dist 4.67452 8.09769 10.0509 7.24832 5.48556 7.02195 10.676 14.5528 6.75833 13.0653 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.35148 7.30244 10.48 7.29796 5.23846 6.89336 6.99846 13.8218 9.58343 12.0159 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 7.43793 9.12305 6.87235 9.30906 5.4427 5.46301 5.96129 6.88683 8.33847 10.6587 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 8.4739 9.12305 9.94041 9.30906 5.52842 5.46301 5.96129 11.0296 8.33847 10.6587 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.08181 8.81059 13.8694 9.67877 5.09738 17.2075 7.64421 13.3732 7.9357 17.1491 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 6.08181 8.81059 13.8694 9.12006 14.0402 5.30627 7.64421 13.3732 7.9357 5.79537 numMergedOcc 0
20 mol 258 unq 2 iso 0 dist 6.08181 9.12006 14.0402 9.67877 5.09738 18.4031 16.5108 22.2227 9.47519 26.1702 numMergedOcc 0
21 mol 258 unq 3 iso 0 dist 6.08181 9.12006 14.0402 9.67877 5.09738 18.4031 7.64421 13.3732 5.79537 17.1491 numMergedOcc 0
22 mol 258 unq 4 iso 0 dist 6.08181 9.12006 14.0402 8.81059 13.8694 5.30627 16.5108 22.2227 9.47519 11.9494 numMergedOcc 0
23 mol 258 unq 5 iso 0 dist 6.08181 9.12006 14.0402 8.81059 13.8694 5.30627 7.64421 13.3732 5.79537 7.9357 numMergedOcc 0
24 mol 258 unq 6 iso 0 dist 7.70189 8.81059 9.22664 9.67877 10.4667 17.2075 7.64421 12.9422 7.9357 17.1491 numMergedOcc 0
25 mol 258 unq 7 iso 0 dist 7.70189 8.81059 9.22664 9.12006 13.0489 5.30627 7.64421 12.9422 7.9357 5.79537 numMergedOcc 0
26 mol 258 unq 8 iso 0 dist 7.70189 9.12006 13.0489 9.67877 10.4667 18.4031 16.5108 20.0893 9.47519 26.1702 numMergedOcc 0
27 mol 258 unq 9 iso 0 dist 7.70189 9.12006 13.0489 9.67877 10.4667 18.4031 7.64421 12.9422 5.79537 17.1491 numMergedOcc 0
28 mol 258 unq 10 iso 0 dist 7.70189 9.12006 13.0489 8.81059 9.22664 5.30627 16.5108 20.0893 9.47519 11.9494 numMergedOcc 0
29 mol 258 unq 11 iso 0 dist 7.70189 9.12006 13.0489 8.81059 9.22664 5.30627 7.64421 12.9422 5.79537 7.9357 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 6.44266 8.3291 6.57235 9.79674 9.61244 9.12834 10.1431 9.07452 6.21831 15.0027 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 8.75703 8.3291 4.97216 9.79674 10.7877 9.12834 10.1431 7.21004 6.21831 15.0027 numMergedOcc 0
