0 mol 16 unq 0 iso 0 dist 9.04834 8.17898 10.2656 5.36911 6.51133 5.30082 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 8.17898 9.04834 10.2656 5.36911 5.30082 6.51133 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 6.53817 9.81769 5.14154 9.78918 5.67637 9.78461 numMergedOcc 0
3 mol 17 unq 0 iso 1 dist 9.81769 6.53817 5.14154 9.78918 9.78461 5.67637 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 6.53817 9.81769 5.14154 6.80314 4.03817 5.12703 numMergedOcc 0
5 mol 17 unq 1 iso 1 dist 9.81769 6.53817 5.14154 6.80314 5.12703 4.03817 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 5.87895 9.57974 4.87334 7.06532 6.38336 6.51 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 9.57974 5.87895 4.87334 7.06532 6.51 6.38336 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 7.9572 8.64208 7.99329 9.42982 4.3987 9.67324 numMergedOcc 0
9 mol 67 unq 0 iso 1 dist 8.64208 7.9572 7.99329 9.42982 9.67324 4.3987 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 7.9572 8.64208 7.99329 8.17929 9.9849 14.5039 numMergedOcc 0
11 mol 67 unq 1 iso 1 dist 8.64208 7.9572 7.99329 8.17929 14.5039 9.9849 numMergedOcc 0
12 mol 67 unq 2 iso 0 dist 7.9572 8.64208 7.99329 5.63802 10.0069 13.6485 numMergedOcc 0
13 mol 67 unq 2 iso 1 dist 8.64208 7.9572 7.99329 5.63802 13.6485 10.0069 numMergedOcc 0
14 mol 102 unq 0 iso 0 dist 7.48277 9.0361 9.15076 9.2062 10.6281 4.48396 numMergedOcc 0
15 mol 102 unq 0 iso 1 dist 9.0361 7.48277 9.15076 9.2062 4.48396 10.6281 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 9.41832 5.44596 6.43459 6.58859 11.9251 8.5945 numMergedOcc 0
17 mol 140 unq 0 iso 1 dist 5.44596 9.41832 6.43459 6.58859 8.5945 11.9251 numMergedOcc 0
18 mol 140 unq 1 iso 0 dist 9.41832 9.69069 8.90548 6.58859 11.9251 6.84624 numMergedOcc 0
19 mol 140 unq 1 iso 1 dist 9.69069 9.41832 8.90548 6.58859 6.84624 11.9251 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 5.44596 9.69069 9.87462 6.58859 8.5945 6.84624 numMergedOcc 0
21 mol 140 unq 1 iso 1 dist 9.69069 5.44596 9.87462 6.58859 6.84624 8.5945 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 8.34161 6.95381 5.21142 7.23059 8.22911 10.1352 numMergedOcc 0
23 mol 158 unq 0 iso 1 dist 6.95381 8.34161 5.21142 7.23059 10.1352 8.22911 numMergedOcc 0
24 mol 162 unq 0 iso 0 dist 9.89142 8.06091 10.4637 9.31025 4.20425 12.7318 numMergedOcc 0
25 mol 162 unq 0 iso 1 dist 8.06091 9.89142 10.4637 9.31025 12.7318 4.20425 numMergedOcc 0
26 mol 185 unq 0 iso 0 dist 9.03315 9.59096 13.2477 6.68054 8.51873 4.74713 numMergedOcc 0
27 mol 185 unq 0 iso 1 dist 9.59096 9.03315 13.2477 6.68054 4.74713 8.51873 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 7.7292 6.27396 12.5143 8.82861 5.86489 11.2903 numMergedOcc 0
29 mol 204 unq 0 iso 1 dist 6.27396 7.7292 12.5143 8.82861 11.2903 5.86489 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 7.80525 7.71295 7.25988 8.64294 11.5361 10.8836 numMergedOcc 0
31 mol 253 unq 0 iso 1 dist 7.71295 7.80525 7.25988 8.64294 10.8836 11.5361 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 9.79674 8.3291 9.12834 9.35929 6.09457 6.11414 numMergedOcc 0
33 mol 274 unq 0 iso 1 dist 8.3291 9.79674 9.12834 9.35929 6.11414 6.09457 numMergedOcc 0
34 mol 284 unq 0 iso 0 dist 8.08993 7.34344 13.5089 4.87349 10.6664 4.50325 numMergedOcc 0
35 mol 284 unq 0 iso 1 dist 7.34344 8.08993 13.5089 4.87349 4.50325 10.6664 numMergedOcc 0
