0 mol 17 unq 0 iso 0 dist 9.5937 7.34681 11.0023 9.16861 10.7882 9.91874 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 7.34681 9.5937 11.0023 9.16861 9.91874 10.7882 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.40644 5.35252 5.43494 9.38206 5.79865 4.91651 numMergedOcc 0
3 mol 48 unq 0 iso 1 dist 5.35252 9.40644 5.43494 9.38206 4.91651 5.79865 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.06142 8.41264 6.73667 6.28472 7.18997 8.66669 numMergedOcc 0
5 mol 56 unq 0 iso 1 dist 8.41264 9.06142 6.73667 6.28472 8.66669 7.18997 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 9.06142 8.41264 6.73667 8.74881 10.9335 7.7551 numMergedOcc 0
7 mol 56 unq 1 iso 1 dist 8.41264 9.06142 6.73667 8.74881 7.7551 10.9335 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 5.41357 9.30042 4.78627 8.64746 4.97497 6.60091 numMergedOcc 0
9 mol 64 unq 0 iso 1 dist 9.30042 5.41357 4.78627 8.64746 6.60091 4.97497 numMergedOcc 0
10 mol 75 unq 0 iso 0 dist 8.25597 4.76466 4.41154 8.26819 8.88127 6.78257 numMergedOcc 0
11 mol 75 unq 0 iso 1 dist 4.76466 8.25597 4.41154 8.26819 6.78257 8.88127 numMergedOcc 0
12 mol 75 unq 1 iso 0 dist 8.25597 8.67172 4.7808 8.26819 8.88127 4.7798 numMergedOcc 0
13 mol 75 unq 1 iso 1 dist 8.67172 8.25597 4.7808 8.26819 4.7798 8.88127 numMergedOcc 0
14 mol 75 unq 1 iso 0 dist 4.76466 8.67172 5.23438 8.26819 6.78257 4.7798 numMergedOcc 0
15 mol 75 unq 1 iso 1 dist 8.67172 4.76466 5.23438 8.26819 4.7798 6.78257 numMergedOcc 0
16 mol 104 unq 0 iso 0 dist 5.71279 6.18499 4.36714 9.66258 9.81762 7.1626 numMergedOcc 0
17 mol 104 unq 0 iso 1 dist 6.18499 5.71279 4.36714 9.66258 7.1626 9.81762 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 8.80824 9.67606 6.10898 8.81198 5.13314 6.8882 numMergedOcc 0
19 mol 115 unq 0 iso 1 dist 9.67606 8.80824 6.10898 8.81198 6.8882 5.13314 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 5.58167 8.0501 11.6883 6.56642 6.47437 7.95559 numMergedOcc 0
21 mol 187 unq 0 iso 1 dist 8.0501 5.58167 11.6883 6.56642 7.95559 6.47437 numMergedOcc 0
22 mol 187 unq 1 iso 0 dist 5.58167 8.0501 11.6883 7.9625 10.7843 9.27977 numMergedOcc 0
23 mol 187 unq 1 iso 1 dist 8.0501 5.58167 11.6883 7.9625 9.27977 10.7843 numMergedOcc 0
24 mol 189 unq 0 iso 0 dist 6.77641 7.54658 6.4062 4.96433 5.88642 4.8442 numMergedOcc 0
25 mol 189 unq 0 iso 1 dist 7.54658 6.77641 6.4062 4.96433 4.8442 5.88642 numMergedOcc 0
26 mol 204 unq 0 iso 0 dist 6.20044 8.41232 6.2357 9.01377 13.2711 10.5475 numMergedOcc 0
27 mol 204 unq 0 iso 1 dist 8.41232 6.20044 6.2357 9.01377 10.5475 13.2711 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 5.25149 8.6368 11.0459 5.00266 4.51612 8.8105 numMergedOcc 0
29 mol 220 unq 0 iso 1 dist 8.6368 5.25149 11.0459 5.00266 8.8105 4.51612 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 7.31608 7.96226 5.19836 8.85101 4.76056 4.1117 numMergedOcc 0
31 mol 224 unq 0 iso 1 dist 7.96226 7.31608 5.19836 8.85101 4.1117 4.76056 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 9.01071 8.86185 15.9311 4.57548 11.2678 4.81796 numMergedOcc 0
33 mol 239 unq 0 iso 1 dist 8.86185 9.01071 15.9311 4.57548 4.81796 11.2678 numMergedOcc 0
34 mol 273 unq 0 iso 0 dist 5.78262 7.6489 8.60201 6.59786 8.67797 9.47855 numMergedOcc 0
35 mol 273 unq 0 iso 1 dist 7.6489 5.78262 8.60201 6.59786 9.47855 8.67797 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 5.78262 7.6489 8.60201 7.96519 13.2599 10.9195 numMergedOcc 0
37 mol 273 unq 1 iso 1 dist 7.6489 5.78262 8.60201 7.96519 10.9195 13.2599 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 7.872 6.32984 8.70014 7.61398 9.51445 11.5961 numMergedOcc 0
39 mol 285 unq 0 iso 1 dist 6.32984 7.872 8.70014 7.61398 11.5961 9.51445 numMergedOcc 0
