0 mol 45 unq 0 iso 0 dist 6.1517 8.65083 7.61402 13.5889 9.22921 6.99408 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 6.1517 8.65083 7.61402 12.5173 6.64343 9.3403 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 4.22514 6.2425 8.41365 6.13476 5.65405 5.02241 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 5.25083 4.35757 8.35595 7.63534 6.71804 8.97793 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 5.25083 6.55474 6.22513 9.58389 5.49132 6.21982 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 5.25083 6.55474 6.22513 7.63534 6.71804 8.19682 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 8.7835 6.35895 8.35595 11.6094 6.71804 8.97793 numMergedOcc 0
7 mol 76 unq 4 iso 0 dist 8.7835 10.0405 6.22513 12.8196 5.49132 6.21982 numMergedOcc 0
8 mol 76 unq 5 iso 0 dist 8.7835 10.0405 6.22513 11.6094 6.71804 8.19682 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 8.6659 4.54208 8.86001 11.1067 12.0573 7.72108 numMergedOcc 0
10 mol 99 unq 1 iso 0 dist 8.4731 4.54208 9.36749 11.1067 10.7947 7.72108 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 5.36878 4.39332 6.13301 10.0175 5.40409 8.36733 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 9.81978 11.0605 9.15536 7.94593 10.5343 9.31887 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 8.45309 9.12667 7.95111 14.9493 7.25468 9.52936 numMergedOcc 0
14 mol 184 unq 1 iso 0 dist 8.45309 9.12667 7.95111 15.3175 8.82012 9.15417 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.69695 6.27504 5.37579 6.20646 5.43761 5.90931 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 8.18287 6.67807 5.37579 6.73266 5.43761 5.90931 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.82428 7.28957 9.347 9.1663 7.02346 4.26212 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 9.46063 4.36132 6.52138 10.766 7.07333 7.19465 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 8.5835 5.47761 7.48361 7.80336 6.64096 7.14834 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 9.91812 15.7226 8.6173 14.998 5.87119 4.86729 numMergedOcc 0
