0 mol 5 unq 0 iso 0 dist 7.64048 7.62938 5.8674 5.17677 5.63302 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.64048 7.62938 5.8674 8.12453 4.55639 8.68577 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.64048 7.62938 5.8674 5.58988 5.70163 9.70883 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 7.77567 9.06004 6.33349 6.82054 8.45145 4.78873 numMergedOcc 0
4 mol 33 unq 1 iso 0 dist 7.77567 9.34266 5.86299 6.82054 8.45145 8.03913 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 7.01149 9.12204 3.5863 6.10172 6.89022 10.2786 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 6.60886 7.65521 4.3266 9.37396 8.90965 11.3682 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 7.91401 7.07055 9.02536 4.29847 9.60811 11.276 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 9.43033 9.85144 9.94939 5.04406 8.20345 12.1434 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 9.43033 9.85144 9.94939 8.75597 5.38148 5.36214 numMergedOcc 0
10 mol 123 unq 2 iso 0 dist 8.57379 8.09329 6.33721 7.36026 6.63094 10.7894 numMergedOcc 0
11 mol 123 unq 3 iso 0 dist 8.57379 5.80266 5.79985 7.36026 6.63094 5.36214 numMergedOcc 0
12 mol 123 unq 4 iso 0 dist 5.87154 5.18305 3.00129 6.45068 8.24171 5.56127 numMergedOcc 0
13 mol 123 unq 5 iso 0 dist 5.87154 6.13025 7.41056 6.45068 8.24171 10.7894 numMergedOcc 0
14 mol 123 unq 6 iso 0 dist 5.87154 6.78431 10.7803 6.45068 8.24171 5.36214 numMergedOcc 0
15 mol 123 unq 7 iso 0 dist 6.82663 5.18305 5.2546 6.45068 6.63094 5.56127 numMergedOcc 0
16 mol 123 unq 8 iso 0 dist 6.82663 6.13025 6.33721 6.45068 6.63094 10.7894 numMergedOcc 0
17 mol 123 unq 9 iso 0 dist 6.82663 6.78431 5.79985 6.45068 6.63094 5.36214 numMergedOcc 0
18 mol 123 unq 10 iso 0 dist 9.93167 6.60464 9.94939 7.09872 8.20345 12.1434 numMergedOcc 0
19 mol 123 unq 11 iso 0 dist 9.93167 6.60464 9.94939 6.36283 5.38148 5.36214 numMergedOcc 0
20 mol 148 unq 0 iso 0 dist 9.62458 7.91749 14.6641 6.53248 8.88297 14.2288 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 9.64273 7.96309 14.7716 6.52303 8.82984 14.2753 numMergedOcc 0
22 mol 176 unq 0 iso 0 dist 8.8556 6.95058 5.64063 7.95619 5.60333 9.09371 numMergedOcc 0
23 mol 176 unq 1 iso 0 dist 8.8556 6.95058 5.64063 4.99447 5.58647 6.85902 numMergedOcc 0
24 mol 176 unq 2 iso 0 dist 8.8556 6.95058 5.64063 5.46526 8.5733 10.081 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 7.90504 9.35481 4.06997 10.2778 6.79615 9.21536 numMergedOcc 0
26 mol 184 unq 1 iso 0 dist 7.90504 9.11936 12.8813 10.2778 6.79615 16.5939 numMergedOcc 0
27 mol 184 unq 2 iso 0 dist 7.90504 8.20517 14.4539 10.2778 6.79615 18.388 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 7.89319 8.18447 5.43533 6.04017 9.16774 12.391 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 6.95272 6.01365 5.04677 5.55931 9.68335 9.32042 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 9.40332 8.3831 12.6476 8.32685 9.74797 13.2763 numMergedOcc 0
31 mol 283 unq 1 iso 0 dist 9.40332 8.3831 12.6476 5.93642 9.90494 7.31132 numMergedOcc 0
32 mol 283 unq 2 iso 0 dist 9.40332 8.44179 12.5852 8.32685 9.74797 9.90287 numMergedOcc 0
33 mol 283 unq 3 iso 0 dist 9.40332 8.44179 12.5852 5.93642 9.90494 10.5454 numMergedOcc 0
34 mol 283 unq 4 iso 0 dist 5.8676 8.3831 3.31521 5.93642 5.90121 7.31132 numMergedOcc 0
35 mol 283 unq 5 iso 0 dist 5.8676 8.44179 5.84931 5.93642 5.90121 10.5454 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 7.86603 6.23874 3.39991 10.0544 8.70479 10.9435 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 7.86603 6.68956 5.46505 10.0544 8.70479 11.2783 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 7.86603 6.23874 3.39991 10.0544 8.70479 10.9435 numMergedOcc 0
39 mol 288 unq 1 iso 0 dist 7.86603 6.68956 5.46505 10.0544 8.70479 11.2783 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 7.86603 6.23874 3.39991 10.0544 8.70479 10.9435 numMergedOcc 0
41 mol 289 unq 1 iso 0 dist 7.86603 6.68956 5.46505 10.0544 8.70479 11.2783 numMergedOcc 0
