0 mol 43 unq 0 iso 0 dist 8.06275 15.4384 8.90024 6.41579 8.38387 14.9559 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.90024 15.4384 8.06275 14.9559 8.38387 6.41579 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 9.83528 6.49254 7.54969 13.0144 5.9747 12.9828 numMergedOcc 0
3 mol 98 unq 0 iso 1 dist 7.54969 6.49254 9.83528 12.9828 5.9747 13.0144 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.83528 6.49254 7.54969 10.11 4.50572 9.82501 numMergedOcc 0
5 mol 98 unq 1 iso 1 dist 7.54969 6.49254 9.83528 9.82501 4.50572 10.11 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.26438 10.3911 6.43255 9.97562 8.3164 13.5611 numMergedOcc 0
7 mol 109 unq 0 iso 1 dist 6.43255 10.3911 9.26438 13.5611 8.3164 9.97562 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 9.26438 15.5356 7.4389 9.97562 8.3164 13.6781 numMergedOcc 0
9 mol 109 unq 1 iso 1 dist 7.4389 15.5356 9.26438 13.6781 8.3164 9.97562 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 6.43255 7.25431 7.4389 13.5611 8.3164 13.6781 numMergedOcc 0
11 mol 109 unq 1 iso 1 dist 7.4389 7.25431 6.43255 13.6781 8.3164 13.5611 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.66715 15.1512 8.95433 13.3005 9.50322 15.4773 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 8.95433 15.1512 8.66715 15.4773 9.50322 13.3005 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 7.39185 5.56507 4.78641 5.39526 7.63036 8.94388 numMergedOcc 0
15 mol 195 unq 0 iso 1 dist 4.78641 5.56507 7.39185 8.94388 7.63036 5.39526 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 6.45574 5.16968 8.14407 9.7911 8.48065 10.656 numMergedOcc 0
17 mol 235 unq 0 iso 1 dist 8.14407 5.16968 6.45574 10.656 8.48065 9.7911 numMergedOcc 0
18 mol 237 unq 0 iso 0 dist 9.59483 17.7416 8.42717 13.1097 8.56463 11.2515 numMergedOcc 0
19 mol 237 unq 0 iso 1 dist 8.42717 17.7416 9.59483 11.2515 8.56463 13.1097 numMergedOcc 0
20 mol 237 unq 1 iso 0 dist 9.59483 17.7416 8.42717 18.3553 9.42743 6.24855 numMergedOcc 0
21 mol 237 unq 1 iso 1 dist 8.42717 17.7416 9.59483 6.24855 9.42743 18.3553 numMergedOcc 0
22 mol 241 unq 0 iso 0 dist 8.23536 9.1453 6.90245 9.23513 9.10633 3.92006 numMergedOcc 0
23 mol 241 unq 0 iso 1 dist 6.90245 9.1453 8.23536 3.92006 9.10633 9.23513 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 7.37999 7.19064 7.36703 9.36659 8.43858 6.52963 numMergedOcc 0
25 mol 264 unq 0 iso 1 dist 7.36703 7.19064 7.37999 6.52963 8.43858 9.36659 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 7.151 11.3045 8.33977 12.4082 9.77689 14.7999 numMergedOcc 0
27 mol 277 unq 0 iso 1 dist 8.33977 11.3045 7.151 14.7999 9.77689 12.4082 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 7.151 11.3045 8.33977 7.47195 8.51931 5.65499 numMergedOcc 0
29 mol 277 unq 1 iso 1 dist 8.33977 11.3045 7.151 5.65499 8.51931 7.47195 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 8.53324 11.3045 8.66941 7.47195 8.96343 5.65499 numMergedOcc 0
31 mol 277 unq 2 iso 1 dist 8.66941 11.3045 8.53324 5.65499 8.96343 7.47195 numMergedOcc 0
