0 mol 79 unq 0 iso 0 dist 8.17655 9.00872 9.83579 8.65738 6.2576 13.8238 10.6942 4.37918 13.3353 4.15789 numMergedOcc 0
1 mol 79 unq 1 iso 0 dist 6.47416 9.00872 5.29018 8.65738 8.96069 13.8238 10.6942 9.08423 13.3353 4.15789 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.7913 5.04673 5.09449 14.5986 6.89071 10.8202 14.0026 9.18008 9.08385 8.10623 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 7.11438 7.29864 9.74373 12.6706 8.4219 17.6951 7.7399 3.98877 11.8229 8.10623 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 7.4518 5.10693 4.34681 14.6061 7.83506 10.8976 14.6324 8.98901 10.0431 5.20429 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 7.4518 5.10693 4.34681 14.6061 7.83506 10.8976 15.2647 8.52329 11.0739 8.71366 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 7.4518 6.58814 5.73248 14.6061 7.83506 10.3155 14.6324 8.98901 8.64032 5.20429 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 7.4518 6.58814 5.73248 14.6061 7.83506 10.3155 15.2647 8.52329 12.141 8.71366 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 7.4518 6.13459 13.5809 14.6061 7.83506 20.602 14.6324 8.98901 20.2887 5.20429 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 7.4518 6.13459 13.5809 14.6061 7.83506 20.602 15.2647 8.52329 21.1252 8.71366 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 7.4518 7.54391 14.149 14.6061 7.83506 20.1586 14.6324 8.98901 18.7487 5.20429 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 7.4518 7.54391 14.149 14.6061 7.83506 20.1586 15.2647 8.52329 21.5063 8.71366 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 5.37302 7.08403 3.52111 7.1034 6.23759 9.75234 11.0815 8.17309 11.0417 5.31126 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 5.37302 7.08403 3.52111 7.1034 6.23759 9.75234 11.8871 9.30967 11.77 7.16619 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 9.66068 7.96893 6.29259 3.74516 7.40338 5.31126 10.3461 7.08122 2.75715 7.16619 numMergedOcc 0
15 mol 113 unq 3 iso 0 dist 8.03783 7.96893 8.17309 7.4003 5.35711 11.772 11.3681 3.52111 11.0417 7.02358 numMergedOcc 0
16 mol 113 unq 4 iso 0 dist 8.03783 7.96893 8.17309 3.74516 6.23759 5.31126 10.3461 9.30967 2.75715 7.16619 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 8.90876 8.97414 8.8681 7.13766 6.12453 5.86767 10.1297 3.73181 6.37254 5.28353 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 8.90876 8.00063 5.71136 7.13766 6.12453 8.89343 8.97414 8.8681 8.38976 5.86767 numMergedOcc 0
19 mol 168 unq 2 iso 0 dist 8.90876 8.00063 5.71136 7.13766 6.12453 8.89343 10.1297 3.73181 6.81049 5.28353 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 5.51388 7.33643 3.83687 7.16323 6.35799 10.1862 10.9108 7.83748 11.1055 5.10589 numMergedOcc 0
21 mol 169 unq 1 iso 0 dist 8.17917 7.78577 7.83748 7.68348 5.41121 11.645 11.7902 3.83687 11.1055 6.96715 numMergedOcc 0
22 mol 169 unq 2 iso 0 dist 7.79437 7.50458 14.1141 4.24401 9.84538 5.10589 5.79554 13.1539 5.23644 4.63336 numMergedOcc 0
23 mol 169 unq 3 iso 0 dist 7.79437 7.50458 14.1141 4.24401 9.84538 5.10589 4.22003 11.6489 7.52063 6.10715 numMergedOcc 0
24 mol 169 unq 4 iso 0 dist 7.79437 5.79554 13.1539 4.24401 9.84538 4.63336 7.50458 14.1141 5.23644 5.10589 numMergedOcc 0
25 mol 169 unq 5 iso 0 dist 7.79437 5.79554 13.1539 4.24401 9.84538 4.63336 4.22003 11.6489 3.74306 6.10715 numMergedOcc 0
26 mol 169 unq 6 iso 0 dist 7.79437 4.22003 11.6489 4.24401 9.84538 6.10715 7.50458 14.1141 7.52063 5.10589 numMergedOcc 0
27 mol 169 unq 7 iso 0 dist 7.79437 4.22003 11.6489 4.24401 9.84538 6.10715 5.79554 13.1539 3.74306 4.63336 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 5.68717 7.88108 3.60349 3.48905 6.49413 9.66527 9.46576 7.28821 9.93488 8.62655 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 5.68717 9.46576 7.28821 3.43711 6.12343 11.9844 7.88108 3.60349 9.93488 7.04263 numMergedOcc 0
30 mol 260 unq 2 iso 0 dist 5.68717 9.46576 7.28821 8.84611 4.52405 9.01781 7.88108 3.60349 9.93488 6.48099 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 7.76945 9.1471 3.96271 9.51119 9.25759 12.9723 7.84189 5.39801 9.30266 4.68668 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 7.76945 9.1471 3.96271 9.51119 9.25759 12.9723 7.84189 5.39801 9.30266 4.68668 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 7.76945 9.1471 3.96271 9.51119 9.25759 12.9723 7.84189 5.39801 9.30266 4.68668 numMergedOcc 0
