0 mol 48 unq 0 iso 0 dist 8.02004 10.2386 6.35042 5.30529 9.07969 9.66291 numMergedOcc 0
1 mol 48 unq 0 iso 1 dist 6.35042 10.2386 8.02004 9.66291 9.07969 5.30529 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.02004 10.2386 6.35042 6.60498 9.61448 11.8666 numMergedOcc 0
3 mol 48 unq 1 iso 1 dist 6.35042 10.2386 8.02004 11.8666 9.61448 6.60498 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.77714 10.6687 6.46118 5.41436 8.94842 9.58119 numMergedOcc 0
5 mol 48 unq 2 iso 1 dist 6.46118 10.6687 7.77714 9.58119 8.94842 5.41436 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.77714 10.6687 6.46118 6.53592 9.9555 12.1293 numMergedOcc 0
7 mol 48 unq 3 iso 1 dist 6.46118 10.6687 7.77714 12.1293 9.9555 6.53592 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 7.8855 12.6714 8.29508 14.7786 9.29917 4.04212 numMergedOcc 0
9 mol 55 unq 0 iso 1 dist 8.29508 12.6714 7.8855 4.04212 9.29917 14.7786 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 7.1891 4.50939 7.67702 5.35918 9.24252 4.10689 numMergedOcc 0
11 mol 110 unq 0 iso 1 dist 7.67702 4.50939 7.1891 4.10689 9.24252 5.35918 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 9.56963 5.66064 5.95885 10.5487 7.97 5.33003 numMergedOcc 0
13 mol 178 unq 0 iso 1 dist 5.95885 5.66064 9.56963 5.33003 7.97 10.5487 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 9.56963 5.66064 5.95885 12.7394 6.95432 7.25161 numMergedOcc 0
15 mol 178 unq 1 iso 1 dist 5.95885 5.66064 9.56963 7.25161 6.95432 12.7394 numMergedOcc 0
16 mol 178 unq 2 iso 0 dist 9.56963 5.66064 5.95885 12.1851 9.32853 8.62728 numMergedOcc 0
17 mol 178 unq 2 iso 1 dist 5.95885 5.66064 9.56963 8.62728 9.32853 12.1851 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 8.57284 7.47996 5.34832 10.2602 9.16535 4.06422 numMergedOcc 0
19 mol 184 unq 0 iso 1 dist 5.34832 7.47996 8.57284 4.06422 9.16535 10.2602 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 8.3311 11.4395 7.74423 6.3479 7.578 10.6544 numMergedOcc 0
21 mol 192 unq 0 iso 1 dist 7.74423 11.4395 8.3311 10.6544 7.578 6.3479 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 8.98518 10.2388 9.3888 6.77896 9.21416 4.00152 numMergedOcc 0
23 mol 220 unq 0 iso 1 dist 9.3888 10.2388 8.98518 4.00152 9.21416 6.77896 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 6.07677 4.35953 7.56605 4.80469 8.89351 4.07811 numMergedOcc 0
25 mol 256 unq 0 iso 1 dist 7.56605 4.35953 6.07677 4.07811 8.89351 4.80469 numMergedOcc 0
26 mol 257 unq 0 iso 0 dist 8.42116 4.45719 8.53984 3.84196 5.81865 5.95711 numMergedOcc 0
27 mol 257 unq 0 iso 1 dist 8.53984 4.45719 8.42116 5.95711 5.81865 3.84196 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 4.28058 7.42275 9.59064 8.93497 9.94851 13.3978 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 9.59064 7.42275 4.28058 13.3978 9.94851 8.93497 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 4.28058 7.42275 9.59064 8.93497 9.94851 13.3978 numMergedOcc 0
31 mol 288 unq 0 iso 1 dist 9.59064 7.42275 4.28058 13.3978 9.94851 8.93497 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 4.28058 7.42275 9.59064 8.93497 9.94851 13.3978 numMergedOcc 0
33 mol 289 unq 0 iso 1 dist 9.59064 7.42275 4.28058 13.3978 9.94851 8.93497 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 9.83077 8.46494 8.45634 6.5727 7.02131 7.79773 numMergedOcc 0
35 mol 292 unq 0 iso 1 dist 8.45634 8.46494 9.83077 7.79773 7.02131 6.5727 numMergedOcc 0
36 mol 292 unq 1 iso 0 dist 9.83077 8.46494 8.45634 9.68077 6.79765 10.2953 numMergedOcc 0
37 mol 292 unq 1 iso 1 dist 8.45634 8.46494 9.83077 10.2953 6.79765 9.68077 numMergedOcc 0
38 mol 292 unq 2 iso 0 dist 9.83077 8.46494 8.45634 11.6581 6.13272 8.10121 numMergedOcc 0
39 mol 292 unq 2 iso 1 dist 8.45634 8.46494 9.83077 8.10121 6.13272 11.6581 numMergedOcc 0
40 mol 292 unq 3 iso 0 dist 9.83077 8.46494 8.45634 12.3084 7.02679 6.17318 numMergedOcc 0
41 mol 292 unq 3 iso 1 dist 8.45634 8.46494 9.83077 6.17318 7.02679 12.3084 numMergedOcc 0
42 mol 292 unq 4 iso 0 dist 9.83077 8.46494 8.45634 9.29282 9.08889 4.77323 numMergedOcc 0
43 mol 292 unq 4 iso 1 dist 8.45634 8.46494 9.83077 4.77323 9.08889 9.29282 numMergedOcc 0
