0 mol 16 unq 0 iso 0 dist 8.59049 5.70228 4.7319 5.11248 6.72833 6.51133 6.21616 6.86055 7.65889 5.94982 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 19.4811 14.8647 12.5088 6.61696 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 11.6434 5.11636 7.95042 5.80953 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.20058 16.6906 8.86116 11.9824 8.44664 10.971 8.45916 4.79736 12.3058 9.98592 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.20058 16.6906 8.86116 9.04355 9.44691 13.4893 13.2071 14.4081 17.9275 9.586 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.20058 14.9411 8.38394 13.4836 8.60554 12.3994 19.4811 14.8647 17.9146 6.61696 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.20058 14.9411 8.38394 13.4836 8.60554 12.3994 11.6434 5.11636 10.9819 5.80953 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 8.20058 14.9411 8.38394 11.9824 8.44664 5.30734 8.45916 4.79736 10.6772 9.98592 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 8.20058 14.9411 8.38394 9.04355 9.44691 12.505 13.2071 14.4081 19.8965 9.586 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 14.5916 13.2447 11.037 9.16515 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 15.9245 11.8139 13.0315 9.82987 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 13.2138 6.28979 11.971 9.40732 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 9.95169 5.18617 9.48085 6.53269 numMergedOcc 0
13 mol 25 unq 4 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 14.5916 14.9982 11.037 9.16515 numMergedOcc 0
14 mol 25 unq 5 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 15.9245 14.1251 13.0315 9.82987 numMergedOcc 0
15 mol 25 unq 6 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 13.2138 8.41421 11.971 9.40732 numMergedOcc 0
16 mol 25 unq 7 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 9.95169 5.68041 9.48085 6.53269 numMergedOcc 0
17 mol 41 unq 0 iso 0 dist 8.52313 8.25852 6.19529 8.06801 8.51663 8.94326 14.2 13.4019 13.8177 6.21128 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.1138 9.27838 15.434 12.0518 5.69391 13.6019 7.58875 numMergedOcc 0
19 mol 72 unq 1 iso 0 dist 6.68311 8.1124 8.8178 15.1138 9.27838 15.434 9.87311 5.57624 14.3084 9.52749 numMergedOcc 0
20 mol 72 unq 2 iso 0 dist 6.68311 8.1124 8.8178 15.1138 9.27838 15.434 9.26417 4.03844 12.4827 6.91169 numMergedOcc 0
21 mol 72 unq 3 iso 0 dist 6.68311 15.0607 9.96708 15.1138 9.27838 11.6378 12.0518 5.69391 9.55118 7.58875 numMergedOcc 0
22 mol 72 unq 4 iso 0 dist 6.68311 15.0607 9.96708 15.1138 9.27838 11.6378 9.87311 5.57624 13.641 9.52749 numMergedOcc 0
23 mol 72 unq 5 iso 0 dist 6.68311 15.0607 9.96708 15.1138 9.27838 11.6378 9.26417 4.03844 12.111 6.91169 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 11.0132 6.65501 4.4057 15.2414 10.4782 9.81956 8.46823 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 11.0132 6.65501 4.4057 9.55337 3.9764 5.10496 4.62494 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 8.05602 4.72129 6.48948 11.0132 6.65501 7.42446 15.2414 10.4782 10.8223 8.46823 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 8.05602 4.72129 6.48948 11.0132 6.65501 7.42446 9.55337 3.9764 5.92242 4.62494 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 8.05602 12.0339 6.10456 11.0132 6.65501 9.67482 15.2414 10.4782 7.54889 8.46823 numMergedOcc 0
29 mol 98 unq 5 iso 0 dist 8.05602 12.0339 6.10456 11.0132 6.65501 9.67482 9.55337 3.9764 5.2571 4.62494 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 10.838 8.30845 12.2861 10.7785 6.23008 9.76432 6.59691 numMergedOcc 0
31 mol 100 unq 1 iso 0 dist 5.70279 5.85449 6.65086 10.838 8.30845 5.80144 10.7785 6.23008 8.91882 6.59691 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 5.70279 7.68675 6.56369 10.838 8.30845 10.0456 10.7785 6.23008 11.5088 6.59691 numMergedOcc 0
33 mol 100 unq 3 iso 0 dist 5.70279 9.53223 9.30209 10.838 8.30845 6.70236 10.7785 6.23008 11.6812 6.59691 numMergedOcc 0
34 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 10.8869 7.80523 7.74599 13.0202 5.00433 8.52024 7.56755 numMergedOcc 0
35 mol 113 unq 0 iso 0 dist 9.08014 7.41343 5.86073 10.3234 8.8822 10.1816 18.97 13.9729 15.7535 9.30645 numMergedOcc 0
36 mol 129 unq 0 iso 0 dist 6.23966 5.16275 9.61051 5.85167 7.58957 5.68211 8.46972 6.28232 11.3039 6.34626 numMergedOcc 0
37 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 5.85167 7.58957 10.5488 8.46972 6.28232 11.7541 6.34626 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 5.52764 7.92304 5.50031 8.14405 4.91785 8.97626 9.16358 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 5.47561 10.6375 8.01589 10.3328 7.67576 10.3151 8.51427 6.84862 14.4477 8.43195 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 5.47561 10.6375 8.01589 10.3328 7.67576 10.3151 11.6182 9.53117 16.3082 8.23406 numMergedOcc 0
41 mol 222 unq 2 iso 0 dist 5.47561 5.39098 7.7699 10.3328 7.67576 7.81022 8.51427 6.84862 10.0233 8.43195 numMergedOcc 0
42 mol 222 unq 3 iso 0 dist 5.47561 5.39098 7.7699 10.3328 7.67576 7.81022 11.6182 9.53117 11.839 8.23406 numMergedOcc 0
43 mol 222 unq 4 iso 0 dist 5.47561 5.60111 7.21333 10.3328 7.67576 7.75656 8.51427 6.84862 5.56538 8.43195 numMergedOcc 0
44 mol 222 unq 5 iso 0 dist 5.47561 5.60111 7.21333 10.3328 7.67576 7.75656 11.6182 9.53117 7.48954 8.23406 numMergedOcc 0
45 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 10.4939 8.66332 6.65022 10.3383 5.70473 7.27993 9.37336 numMergedOcc 0
46 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 4.95971 9.05071 8.80479 7.53576 5.42461 10.3021 6.59036 numMergedOcc 0
