0 mol 73 unq 0 iso 0 dist 8.06168 11.1443 8.67532 15.6688 8.62079 8.22845 numMergedOcc 0
1 mol 73 unq 0 iso 1 dist 8.67532 11.1443 8.06168 8.22845 8.62079 15.6688 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.72689 14.8895 7.74197 3.48087 9.07128 12.4888 numMergedOcc 0
3 mol 88 unq 0 iso 1 dist 7.74197 14.8895 9.72689 12.4888 9.07128 3.48087 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 9.72689 14.8895 7.74197 10.0091 6.65615 6.15983 numMergedOcc 0
5 mol 88 unq 1 iso 1 dist 7.74197 14.8895 9.72689 6.15983 6.65615 10.0091 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.9747 4.24815 4.50572 4.48773 7.92856 3.8493 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 4.50572 4.24815 5.9747 3.8493 7.92856 4.48773 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 9.73174 4.37555 9.65418 6.88119 9.10911 9.95216 numMergedOcc 0
9 mol 110 unq 0 iso 1 dist 9.65418 4.37555 9.73174 9.95216 9.10911 6.88119 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 6.78949 9.50688 9.40018 6.80573 4.42563 12.9961 numMergedOcc 0
11 mol 122 unq 0 iso 1 dist 9.40018 9.50688 6.78949 12.9961 4.42563 6.80573 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 8.14096 11.1234 8.43038 3.86842 9.86868 13.2021 numMergedOcc 0
13 mol 167 unq 0 iso 1 dist 8.43038 11.1234 8.14096 13.2021 9.86868 3.86842 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 8.14096 11.1234 8.43038 7.27404 6.83528 3.92405 numMergedOcc 0
15 mol 167 unq 1 iso 1 dist 8.43038 11.1234 8.14096 3.92405 6.83528 7.27404 numMergedOcc 0
16 mol 167 unq 2 iso 0 dist 8.14096 13.0523 9.87966 3.86842 9.86868 15.8191 numMergedOcc 0
17 mol 167 unq 2 iso 1 dist 9.87966 13.0523 8.14096 15.8191 9.86868 3.86842 numMergedOcc 0
18 mol 167 unq 3 iso 0 dist 8.14096 13.0523 9.87966 7.27404 6.83528 6.18329 numMergedOcc 0
19 mol 167 unq 3 iso 1 dist 9.87966 13.0523 8.14096 6.18329 6.83528 7.27404 numMergedOcc 0
20 mol 167 unq 2 iso 0 dist 8.43038 3.81938 9.87966 13.2021 9.86868 15.8191 numMergedOcc 0
21 mol 167 unq 2 iso 1 dist 9.87966 3.81938 8.43038 15.8191 9.86868 13.2021 numMergedOcc 0
22 mol 167 unq 3 iso 0 dist 8.43038 3.81938 9.87966 3.92405 6.83528 6.18329 numMergedOcc 0
23 mol 167 unq 3 iso 1 dist 9.87966 3.81938 8.43038 6.18329 6.83528 3.92405 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 9.36079 3.85697 7.42904 12.9317 4.51255 10.8126 numMergedOcc 0
25 mol 206 unq 0 iso 1 dist 7.42904 3.85697 9.36079 10.8126 4.51255 12.9317 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 9.86371 3.3846 9.13552 6.9328 8.40074 3.90226 numMergedOcc 0
27 mol 225 unq 0 iso 1 dist 9.13552 3.3846 9.86371 3.90226 8.40074 6.9328 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 9.11256 13.6805 7.08539 3.76405 8.08965 12.0808 numMergedOcc 0
29 mol 235 unq 0 iso 1 dist 7.08539 13.6805 9.11256 12.0808 8.08965 3.76405 numMergedOcc 0
30 mol 237 unq 0 iso 0 dist 8.56463 15.4427 9.42743 8.84619 9.14911 9.06943 numMergedOcc 0
31 mol 237 unq 0 iso 1 dist 9.42743 15.4427 8.56463 9.06943 9.14911 8.84619 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 9.53313 3.73926 7.26542 6.09704 9.76232 5.42266 numMergedOcc 0
33 mol 287 unq 0 iso 1 dist 7.26542 3.73926 9.53313 5.42266 9.76232 6.09704 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 9.53313 3.73926 7.26542 6.09704 9.76232 5.42266 numMergedOcc 0
35 mol 288 unq 0 iso 1 dist 7.26542 3.73926 9.53313 5.42266 9.76232 6.09704 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 9.53313 3.73926 7.26542 6.09704 9.76232 5.42266 numMergedOcc 0
37 mol 289 unq 0 iso 1 dist 7.26542 3.73926 9.53313 5.42266 9.76232 6.09704 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 9.20416 10.0257 7.53641 3.64117 6.69619 6.97445 numMergedOcc 0
39 mol 292 unq 0 iso 1 dist 7.53641 10.0257 9.20416 6.97445 6.69619 3.64117 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 9.20416 10.0257 7.53641 7.30677 4.49592 5.33412 numMergedOcc 0
41 mol 292 unq 1 iso 1 dist 7.53641 10.0257 9.20416 5.33412 4.49592 7.30677 numMergedOcc 0
