0 mol 59 unq 0 iso 0 dist 8.82919 6.48339 6.86106 5.44752 9.94491 8.64015 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 6.00639 8.04916 8.9953 9.12104 13.3248 8.16733 numMergedOcc 0
2 mol 94 unq 1 iso 0 dist 6.00639 8.04916 8.9953 13.3759 17.5911 9.97569 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.1232 6.98059 5.09562 9.83687 9.49799 5.88354 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.1232 6.98059 5.09562 11.0059 12.129 7.89665 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 5.1232 6.98059 5.09562 12.2571 10.0009 5.39354 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 5.1232 6.98059 5.09562 12.0258 8.20865 5.74854 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 5.1232 6.98059 5.09562 12.8848 13.1775 8.76566 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 5.1232 6.98059 5.09562 12.3945 11.3099 8.8368 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 4.76168 5.63127 5.09562 10.6448 9.49799 5.88354 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 4.76168 5.63127 5.09562 13.4221 12.129 7.89665 numMergedOcc 0
11 mol 98 unq 8 iso 0 dist 4.76168 5.63127 5.09562 7.96856 10.0009 5.39354 numMergedOcc 0
12 mol 98 unq 9 iso 0 dist 4.76168 5.63127 5.09562 5.58126 8.20865 5.74854 numMergedOcc 0
13 mol 98 unq 10 iso 0 dist 4.76168 5.63127 5.09562 12.7489 13.1775 8.76566 numMergedOcc 0
14 mol 98 unq 11 iso 0 dist 4.76168 5.63127 5.09562 9.77595 11.3099 8.8368 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 4.4558 7.13742 9.6989 4.69605 9.11813 6.96521 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 8.68482 9.08318 12.0796 4.65392 7.7292 6.85441 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 8.53152 5.90507 6.39716 5.19318 7.87125 8.74585 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 7.7874 8.08402 4.08418 4.71355 7.77535 7.05523 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 7.7874 8.08402 4.08418 15.511 11.9696 8.46327 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 6.35646 8.1139 12.4451 7.9251 14.2803 8.0751 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 5.59354 8.1139 6.45289 7.9251 10.9742 8.0751 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 5.95601 5.67652 7.57247 12.61 12.776 8.92743 numMergedOcc 0
23 mol 229 unq 1 iso 0 dist 5.95601 5.67652 7.57247 9.93388 13.2481 8.08082 numMergedOcc 0
24 mol 229 unq 2 iso 0 dist 5.95601 5.67652 7.57247 6.23286 8.0007 5.77318 numMergedOcc 0
25 mol 229 unq 3 iso 0 dist 5.95601 5.67652 7.57247 5.132 10.7479 8.19603 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 5.50553 6.51617 6.42313 6.30874 10.6216 8.15467 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 5.50553 6.51617 6.42313 6.88723 11.9894 9.1925 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 7.15278 9.66445 10.0223 16.3624 17.2419 9.13907 numMergedOcc 0
