0 mol 2 unq 0 iso 0 dist 7.12914 9.39919 9.8324 11.3806 8.3726 14.0048 numMergedOcc 0
1 mol 5 unq 0 iso 0 dist 6.40459 7.06929 7.89217 8.35174 8.64744 6.01866 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 6.40459 5.80953 6.99733 8.35174 8.64744 11.5915 numMergedOcc 0
3 mol 5 unq 2 iso 0 dist 8.58084 13.0288 7.89217 15.05 8.64744 6.01866 numMergedOcc 0
4 mol 5 unq 3 iso 0 dist 8.58084 7.18062 6.99733 15.05 8.64744 11.5915 numMergedOcc 0
5 mol 5 unq 4 iso 0 dist 9.8143 6.89121 8.81964 5.58988 8.49537 3.9731 numMergedOcc 0
6 mol 5 unq 5 iso 0 dist 9.8143 6.89121 8.81964 9.509 9.85529 9.94131 numMergedOcc 0
7 mol 28 unq 0 iso 0 dist 7.84931 15.9732 8.48456 12.8342 5.42412 5.61871 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 7.84931 15.9732 8.48456 14.4187 8.09862 7.3517 numMergedOcc 0
9 mol 28 unq 2 iso 0 dist 7.84931 15.9732 8.48456 15.1831 8.89114 6.13016 numMergedOcc 0
10 mol 28 unq 3 iso 0 dist 6.64392 9.95825 8.48456 10.3431 5.42412 5.61871 numMergedOcc 0
11 mol 28 unq 4 iso 0 dist 6.64392 9.95825 8.48456 12.3064 8.09862 7.3517 numMergedOcc 0
12 mol 28 unq 5 iso 0 dist 6.64392 9.95825 8.48456 11.3495 8.89114 6.13016 numMergedOcc 0
13 mol 34 unq 0 iso 0 dist 6.70369 7.63349 7.50918 10.7132 8.73053 6.64208 numMergedOcc 0
14 mol 34 unq 1 iso 0 dist 8.49278 7.63349 9.18907 10.7132 7.07087 6.64208 numMergedOcc 0
15 mol 37 unq 0 iso 0 dist 7.83092 9.47356 6.82081 13.3584 9.86496 6.60479 numMergedOcc 0
16 mol 48 unq 0 iso 0 dist 7.4343 4.62799 9.79657 8.68072 8.52681 10.6247 numMergedOcc 0
17 mol 48 unq 1 iso 0 dist 7.4343 4.62799 9.79657 6.69623 9.98769 7.07594 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 8.50028 12.1332 6.85356 11.7078 5.88827 8.50831 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 8.50028 12.1332 6.85356 16.0942 9.66175 14.8359 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 8.50028 14.2641 7.32265 11.7078 5.88827 10.3098 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 8.50028 14.2641 7.32265 16.0942 9.66175 6.35914 numMergedOcc 0
22 mol 83 unq 0 iso 0 dist 7.6104 14.0631 7.9309 11.4698 5.13041 6.60457 numMergedOcc 0
23 mol 87 unq 0 iso 0 dist 7.83182 3.74583 7.83828 8.16334 9.92157 6.09079 numMergedOcc 0
24 mol 173 unq 0 iso 0 dist 8.68755 4.37633 8.32987 5.04699 9.19939 4.83267 numMergedOcc 0
25 mol 173 unq 1 iso 0 dist 8.68755 10.0585 8.44321 5.04699 9.19939 7.13056 numMergedOcc 0
26 mol 174 unq 0 iso 0 dist 7.5144 8.97301 8.15275 7.7709 8.63713 6.77289 numMergedOcc 0
27 mol 203 unq 0 iso 0 dist 9.58178 6.98545 7.72215 11.7673 9.58652 9.99456 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 8.96503 7.51653 6.02053 8.98996 4.93303 6.20494 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 8.96503 7.51653 6.02053 8.73701 9.95859 8.39697 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 8.96503 10.6644 7.41663 8.98996 4.93303 5.10421 numMergedOcc 0
31 mol 205 unq 3 iso 0 dist 8.96503 10.6644 7.41663 8.73701 9.95859 12.776 numMergedOcc 0
32 mol 211 unq 0 iso 0 dist 8.14513 10.0612 9.24739 4.61879 7.4575 5.48173 numMergedOcc 0
33 mol 212 unq 0 iso 0 dist 8.31372 11.6841 9.1732 4.45056 9.49715 14.7991 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 9.99717 10.9092 7.0412 5.01976 6.35772 9.71885 numMergedOcc 0
35 mol 226 unq 0 iso 0 dist 7.64898 5.27976 8.24741 5.18969 9.84378 10.4 numMergedOcc 0
36 mol 226 unq 1 iso 0 dist 7.64898 4.67471 5.07958 5.18969 9.84378 5.92594 numMergedOcc 0
37 mol 226 unq 2 iso 0 dist 7.64898 13.1475 6.19519 5.18969 9.84378 15.5677 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 6.55222 14.1404 7.80073 14.2967 9.58325 7.79949 numMergedOcc 0
