0 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 13.5984 5.59311 10.4353 8.70827 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 18.4559 12.176 14.7634 6.73939 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 13.5984 5.59311 10.4353 9.12854 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 16.6031 14.012 18.0797 9.41441 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 13.466 7.57578 10.9703 8.78181 6.08585 3.904 8.50222 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 8.78181 6.08585 3.904 7.55264 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 8.78181 5.77929 3.904 8.87757 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 11.6272 10.8498 5.46578 6.16347 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 7.05148 5.30154 11.0175 7.92503 numMergedOcc 0
9 mol 25 unq 5 iso 0 dist 9.87281 8.27137 14.1577 6.17631 7.31767 11.4732 7.05148 5.64303 11.0175 8.6653 numMergedOcc 0
10 mol 25 unq 6 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 7.05148 5.82503 11.0175 8.6653 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 5.84625 9.95364 10.5604 8.80614 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 5.84625 5.49591 10.5604 8.80614 numMergedOcc 0
13 mol 59 unq 0 iso 0 dist 6.65344 8.35477 3.98306 13.1729 7.71095 10.5771 16.2055 9.64444 10.0966 6.73347 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 9.49995 11.4333 5.88327 9.49454 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 9.49995 11.4333 3.96826 9.49454 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 10.9995 7.06961 3.94967 6.7117 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 10.9995 7.06961 3.94967 4.47349 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 5.9747 7.34638 7.03983 4.75138 5.08437 9.89095 10.9995 7.06961 13.4954 6.7117 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 5.9747 7.34638 7.03983 11.3628 6.10456 12.7417 10.9995 7.06961 13.4954 4.47349 numMergedOcc 0
20 mol 98 unq 4 iso 0 dist 4.50572 6.0995 7.03983 6.88489 5.08437 9.89095 11.1541 7.06961 13.4954 6.7117 numMergedOcc 0
21 mol 98 unq 5 iso 0 dist 4.50572 6.0995 7.03983 9.82583 6.10456 12.7417 11.1541 7.06961 13.4954 4.47349 numMergedOcc 0
22 mol 98 unq 6 iso 0 dist 4.50572 9.25525 13.1657 6.88489 5.08437 15.844 11.1541 7.06961 20.1796 6.7117 numMergedOcc 0
23 mol 98 unq 7 iso 0 dist 4.50572 9.25525 13.1657 9.82583 6.10456 18.1227 11.1541 7.06961 20.1796 4.47349 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 9.34823 5.13589 14.1584 6.73586 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 12.672 10.7293 16.1557 9.36851 numMergedOcc 0
26 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 11.6466 7.29399 13.4653 4.97175 numMergedOcc 0
27 mol 129 unq 2 iso 0 dist 6.38163 7.90844 12.3705 10.0961 5.83384 17.1791 12.672 10.7293 16.6234 9.36851 numMergedOcc 0
28 mol 129 unq 3 iso 0 dist 6.38163 7.90844 12.3705 10.0961 5.83384 17.1791 11.6466 7.29399 17.1197 4.97175 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 13.6954 14.2045 18.0802 8.70296 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 10.9811 5.09131 6.06126 9.25558 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 11.9876 4.57832 6.93712 6.23142 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 11.9876 4.57832 6.93712 9.94764 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 6.752 6.41148 8.67921 4.2475 7.45763 6.49765 7.23557 5.8535 9.86388 4.8668 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 5.4913 5.06713 8.67921 6.8901 7.45763 6.49765 8.86587 5.8535 9.86388 4.8668 numMergedOcc 0
35 mol 205 unq 2 iso 0 dist 5.4913 8.69512 12.8695 6.8901 7.45763 14.2129 8.86587 5.8535 16.7363 4.8668 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 5.89818 7.75656 6.67077 7.67576 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 9.32543 16.0949 16.6736 9.82371 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 12.521 5.72887 9.72188 20.4128 14.7883 17.1065 9.24557 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 9.18011 5.72887 9.72188 16.6167 14.7883 17.1065 9.24557 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 9.02071 6.20558 9.78219 9.85289 numMergedOcc 0
41 mol 292 unq 0 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 13.7647 10.8848 13.8094 7.07965 numMergedOcc 0
