0 mol 16 unq 0 iso 0 dist 8.59049 6.21616 6.86055 5.70228 4.7319 7.65889 5.11248 6.72833 5.94982 6.51133 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.59049 9.45103 12.9201 5.70228 4.7319 13.1847 5.11248 6.72833 10.0132 6.51133 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 8.45916 4.79736 16.6906 8.86116 12.3058 13.4836 8.60554 13.0764 8.52463 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.20058 8.45916 4.79736 16.6906 8.86116 12.3058 11.9824 8.44664 9.98592 10.971 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.20058 8.45916 4.79736 16.6906 8.86116 12.3058 9.04355 9.44691 13.2105 13.4893 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.20058 8.45916 4.79736 14.9411 8.38394 10.6772 13.4836 8.60554 13.0764 12.3994 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.20058 8.45916 4.79736 14.9411 8.38394 10.6772 11.9824 8.44664 9.98592 5.30734 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.20058 8.45916 4.79736 14.9411 8.38394 10.6772 9.04355 9.44691 13.2105 12.505 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.23095 9.39274 4.77954 10.747 7.31767 11.0249 12.1434 8.6653 10.4755 5.64303 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 6.23095 9.39274 4.77954 11.5983 6.03987 7.99919 12.1434 8.6653 10.4755 5.82503 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 9.22151 9.95169 5.18617 4.96681 7.57578 9.48085 6.63966 8.50222 6.53269 6.08585 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 6.22122 9.95169 5.68041 4.96681 7.17969 9.48085 6.63966 7.55264 6.53269 6.08585 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 6.68311 9.26417 4.03844 8.1124 8.8178 12.4827 15.1138 9.27838 6.91169 15.434 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 6.68311 9.26417 4.03844 15.0607 9.96708 12.111 15.1138 9.27838 6.91169 11.6378 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.05602 4.79891 7.03983 12.0507 5.08437 9.89095 11.0132 6.65501 9.84743 4.4057 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 8.05602 4.79891 7.03983 4.72129 6.48948 7.02507 11.0132 6.65501 9.84743 7.42446 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 8.05602 4.79891 7.03983 12.0339 6.10456 12.7417 11.0132 6.65501 9.84743 9.67482 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 10.838 8.30845 13.2383 12.2861 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 5.70279 5.30117 5.47563 5.92158 7.47343 5.35782 11.4018 8.76378 11.4348 15.5385 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 5.70279 5.30117 5.47563 5.85449 6.65086 9.94341 10.838 8.30845 13.2383 5.80144 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 5.70279 5.30117 5.47563 5.85449 6.65086 9.94341 11.4018 8.76378 11.4348 12.3577 numMergedOcc 0
21 mol 100 unq 4 iso 0 dist 5.70279 5.30117 5.47563 7.68675 6.56369 9.82522 10.838 8.30845 13.2383 10.0456 numMergedOcc 0
22 mol 100 unq 5 iso 0 dist 5.70279 5.30117 5.47563 7.68675 6.56369 9.82522 11.4018 8.76378 11.4348 4.97045 numMergedOcc 0
23 mol 100 unq 6 iso 0 dist 5.70279 5.30117 5.47563 9.53223 9.30209 13.4844 10.838 8.30845 13.2383 6.70236 numMergedOcc 0
24 mol 100 unq 7 iso 0 dist 5.70279 5.30117 5.47563 9.53223 9.30209 13.4844 11.4018 8.76378 11.4348 10.7791 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 8.84523 7.22752 6.35679 14.7654 8.69985 14.6042 10.8869 7.80523 10.5546 7.74599 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 6.23966 8.46972 6.28232 5.16275 9.61051 11.3039 6.47522 6.28565 10.9495 6.30169 numMergedOcc 0
27 mol 129 unq 1 iso 0 dist 6.23966 8.46972 6.28232 5.16275 9.61051 11.3039 5.85167 7.58957 6.34626 5.68211 numMergedOcc 0
28 mol 129 unq 2 iso 0 dist 6.23966 8.46972 6.28232 6.65856 5.83384 11.7541 6.47522 6.28565 10.9495 4.55551 numMergedOcc 0
29 mol 129 unq 3 iso 0 dist 6.23966 8.46972 6.28232 6.65856 5.83384 11.7541 5.85167 7.58957 6.34626 10.5488 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.79004 4.79003 6.9945 10.0277 7.24514 10.4642 13.2968 7.71248 13.0475 4.34568 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 9.79004 4.79003 6.9945 7.33132 8.22656 7.22643 13.2968 7.71248 13.0475 10.6025 numMergedOcc 0
32 mol 155 unq 0 iso 0 dist 5.68636 8.14405 4.91785 7.92939 6.43582 8.97626 5.52764 7.92304 9.16358 5.50031 numMergedOcc 0
33 mol 222 unq 0 iso 0 dist 5.47561 8.51427 6.84862 10.6375 8.01589 14.4477 10.3328 7.67576 8.43195 10.3151 numMergedOcc 0
34 mol 222 unq 1 iso 0 dist 5.47561 8.51427 6.84862 10.6375 8.01589 14.4477 15.0445 9.82371 14.0832 8.52017 numMergedOcc 0
35 mol 222 unq 2 iso 0 dist 5.47561 8.51427 6.84862 5.39098 7.7699 10.0233 10.3328 7.67576 8.43195 7.81022 numMergedOcc 0
36 mol 222 unq 3 iso 0 dist 5.47561 8.51427 6.84862 5.39098 7.7699 10.0233 15.0445 9.82371 14.0832 15.7504 numMergedOcc 0
37 mol 222 unq 4 iso 0 dist 5.47561 8.51427 6.84862 5.60111 7.21333 5.56538 10.3328 7.67576 8.43195 7.75656 numMergedOcc 0
38 mol 222 unq 5 iso 0 dist 5.47561 8.51427 6.84862 5.60111 7.21333 5.56538 15.0445 9.82371 14.0832 16.0949 numMergedOcc 0
39 mol 229 unq 0 iso 0 dist 8.8557 8.3932 4.17276 5.65373 8.22528 10.3243 10.4939 8.66332 11.7964 6.65022 numMergedOcc 0
40 mol 231 unq 0 iso 0 dist 8.91036 9.37406 10.7703 10.613 7.37839 12.8638 9.83598 6.98875 15.6693 6.37275 numMergedOcc 0
41 mol 231 unq 1 iso 0 dist 8.91036 8.98908 13.4098 10.613 7.37839 18.1166 9.83598 6.98875 17.2978 6.37275 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 9.95045 7.53576 5.42461 12.5761 8.27212 10.3021 4.95971 9.05071 6.59036 8.80479 numMergedOcc 0
