0 mol 7 unq 0 iso 0 dist 8.80895 6.70503 5.51421 14.9053 10.6104 8.41585 19.5782 14.9934 14.7759 9.68596 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.50539 10.0986 8.40051 14.5784 13.466 7.57578 6.14367 8.78181 6.08585 8.50222 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.50539 10.0986 8.40051 13.3609 14.4191 7.17969 6.14367 8.78181 6.08585 7.55264 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.50539 5.55893 8.6396 6.34277 5.8503 5.04899 6.14367 8.78181 5.77929 8.87757 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.83402 14.4516 8.88413 8.46842 5.59268 7.17969 10.4123 11.6272 10.8498 6.16347 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.83402 14.4516 8.88413 8.46842 5.59268 7.17969 12.1605 7.05148 5.30154 7.92503 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.83402 13.2677 9.87281 9.14728 6.17631 7.31767 12.1605 7.05148 5.64303 8.6653 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 8.83402 13.7276 7.63928 9.14728 6.17631 6.03987 12.1605 7.05148 5.82503 8.6653 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 6.31509 9.62604 5.9747 10.7852 4.75138 5.08437 16.2215 10.9995 7.06961 6.7117 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 6.31509 9.62604 5.9747 15.5963 11.3628 6.10456 16.2215 10.9995 7.06961 4.47349 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 6.14782 9.62604 4.50572 10.7852 6.88489 5.08437 16.2215 11.1541 7.06961 6.7117 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 6.14782 9.62604 4.50572 15.5963 9.82583 6.10456 16.2215 11.1541 7.06961 4.47349 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 4.76012 8.48942 6.38163 13.6244 10.0961 5.83384 14.8395 12.672 10.7293 9.36851 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 4.76012 8.48942 6.38163 13.6244 10.0961 5.83384 14.1652 11.6466 7.29399 4.97175 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.87066 7.69184 6.31125 6.44766 5.59449 6.85062 12.0238 13.6954 14.2045 8.70296 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 9.87066 7.69184 6.31125 6.44766 5.59449 6.85062 6.81696 10.9811 5.09131 9.25558 numMergedOcc 0
16 mol 131 unq 2 iso 0 dist 7.56833 7.91807 6.31125 11.6897 5.59449 6.85062 20.3382 13.6954 14.2045 8.70296 numMergedOcc 0
17 mol 131 unq 3 iso 0 dist 7.56833 7.91807 6.31125 11.6897 5.59449 6.85062 11.7049 10.9811 5.09131 9.25558 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.22824 11.4517 9.55556 12.199 11.9294 8.94367 11.4949 11.9876 4.57832 6.23142 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.22824 11.4517 9.55556 9.11672 6.36794 9.86662 11.4949 11.9876 4.57832 9.94764 numMergedOcc 0
20 mol 210 unq 0 iso 0 dist 5.07395 13.0116 8.62103 8.91192 3.84723 6.18308 15.7413 10.7279 5.87279 7.10826 numMergedOcc 0
21 mol 210 unq 1 iso 0 dist 9.35577 17.7106 8.62103 12.7025 3.84723 6.18308 19.0351 10.7279 5.87279 7.10826 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 6.17749 12.5625 7.85877 8.81925 4.82768 7.21333 6.11074 5.89818 7.75656 7.67576 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 6.17749 12.5625 7.85877 8.81925 4.82768 7.21333 6.22277 9.32543 16.0949 9.82371 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 8.17234 12.61 8.6537 15.3414 8.65216 8.22528 16.0328 9.38362 6.65022 8.66332 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 8.15743 5.08111 9.29752 6.94983 9.60401 8.27212 4.03628 7.83422 8.80479 9.05071 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 6.84909 11.634 9.30668 6.87804 8.04474 8.2734 13.9059 13.7647 10.8848 7.07965 numMergedOcc 0
