0 mol 5 unq 0 iso 0 dist 6.99733 7.88567 5.34991 7.19651 7.89217 11.4011 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.24422 5.75809 8.89273 10.5266 9.05939 14.2352 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.99724 5.75809 8.10455 10.5266 9.38747 14.2352 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 5.45684 9.05343 7.81738 5.8441 7.76644 7.71528 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 7.76644 7.71528 7.81738 5.8441 5.45684 9.05343 numMergedOcc 0
5 mol 64 unq 2 iso 0 dist 7.66372 9.05343 5.92555 5.8441 9.99743 7.71528 numMergedOcc 0
6 mol 64 unq 3 iso 0 dist 9.99743 7.71528 5.92555 5.8441 7.66372 9.05343 numMergedOcc 0
7 mol 96 unq 0 iso 0 dist 9.579 7.68964 9.9118 6.42012 7.96523 11.2697 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 6.62952 8.73798 8.734 5.4823 4.3521 5.24616 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 4.3521 5.24616 8.734 5.4823 6.62952 8.73798 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 7.11476 6.54699 6.43467 6.21457 9.60223 12.2095 numMergedOcc 0
11 mol 118 unq 0 iso 0 dist 9.4627 9.77241 4.21892 5.92414 9.9757 10.5208 numMergedOcc 0
12 mol 151 unq 0 iso 0 dist 5.89468 8.16646 10.4799 8.30648 9.79321 12.947 numMergedOcc 0
13 mol 172 unq 0 iso 0 dist 5.28889 7.3485 9.6831 5.65773 7.44084 10.1211 numMergedOcc 0
14 mol 172 unq 1 iso 0 dist 4.90175 7.3485 7.16279 5.65773 7.77643 10.1211 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 8.71993 6.10013 4.8988 13.1729 7.71716 10.8116 numMergedOcc 0
16 mol 209 unq 0 iso 0 dist 6.74526 9.81506 4.19179 5.1282 8.68691 10.1748 numMergedOcc 0
17 mol 209 unq 1 iso 0 dist 8.12326 9.81506 6.28791 5.1282 7.37014 10.1748 numMergedOcc 0
18 mol 209 unq 2 iso 0 dist 8.12326 9.81506 6.28791 9.5473 8.20431 13.1043 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 8.94889 8.44451 7.85817 8.21472 8.50367 13.6273 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.92121 7.14918 11.6389 7.19561 9.95252 9.71495 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 8.92121 9.29322 10.1445 7.19561 9.95252 15.6338 numMergedOcc 0
22 mol 281 unq 0 iso 0 dist 6.47753 9.49871 4.93084 4.37277 9.69744 11.2035 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 5.84467 8.09613 4.11753 6.60063 9.30394 11.068 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 8.56533 8.09613 12.5011 6.60063 8.5458 11.068 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 5.84467 8.09613 4.11753 6.60063 9.30394 11.068 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 8.56533 8.09613 12.5011 6.60063 8.5458 11.068 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 5.84467 8.09613 4.11753 6.60063 9.30394 11.068 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 8.56533 8.09613 12.5011 6.60063 8.5458 11.068 numMergedOcc 0
