0 mol 7 unq 0 iso 0 dist 8.57437 9.8603 4.57188 17.7278 9.85726 11.0773 14.6665 10.2729 7.10621 15.4949 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 5.48395 5.84479 6.31718 4.78943 9.18436 5.05803 6.92781 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.56648 6.36377 5.35079 10.1011 8.67719 10.9143 4.78943 9.18436 5.05803 10.7015 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 9.56648 6.36377 5.35079 10.1011 8.67719 10.9143 5.48395 5.84479 6.31718 5.32694 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.10386 6.18305 5.44275 15.7901 9.68526 10.2049 4.69583 7.26679 6.19304 15.7123 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.10386 6.18305 5.44275 15.8603 9.30776 11.6369 4.69583 7.26679 6.19304 12.016 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.66832 8.73648 5.5332 9.47324 8.21889 7.34473 4.93112 9.74643 8.58044 7 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 7.66832 8.73648 5.5332 9.47324 8.21889 7.34473 4.48038 6.86702 9.97763 8.40993 numMergedOcc 0
8 mol 109 unq 2 iso 0 dist 7.66832 8.73648 5.5332 4.93112 9.74643 8.58044 9.47324 8.21889 7.34473 7 numMergedOcc 0
9 mol 109 unq 3 iso 0 dist 7.66832 8.73648 5.5332 4.93112 9.74643 8.58044 4.48038 6.86702 9.97763 6.94915 numMergedOcc 0
10 mol 109 unq 4 iso 0 dist 7.66832 8.73648 5.5332 4.48038 6.86702 9.97763 9.47324 8.21889 7.34473 8.40993 numMergedOcc 0
11 mol 109 unq 5 iso 0 dist 7.66832 8.73648 5.5332 4.48038 6.86702 9.97763 4.93112 9.74643 8.58044 6.94915 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 9.44788 6.18763 6.83988 12.7349 8.53368 13.4378 5.3154 12.1173 6.18601 16.1743 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.44788 8.44385 14.8957 12.7349 8.53368 19.9505 12.1192 20.2439 9.87172 24.6691 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 9.44788 5.63005 12.1168 12.7349 8.53368 15.7043 10.5268 19.2707 8.73993 20.0275 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 4.84607 8.84018 6.5107 13.0836 15.1254 9.52634 9.56949 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 6.23615 9.50322 14.5344 4.64588 6.11955 12.6651 5.37072 11.5405 7.11802 7.79672 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 6.23615 5.82404 7.96098 4.64588 6.11955 6.80239 10.2385 10.4171 6.29155 7.81217 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 6.23615 5.82404 7.96098 4.64588 6.11955 6.80239 5.37072 11.5405 8.00618 7.79672 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 6.53806 6.7973 6.68061 9.88413 7.02715 11.6934 5.01118 9.70079 6.23493 12.1545 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 10.9746 9.18675 16.3967 9.9474 14.5974 7.09863 13.4068 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 9.36753 7.86368 6.16697 12.0816 5.89084 9.45496 6.94762 8.47009 6.7625 7.82322 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 9.36753 7.86368 6.16697 6.94762 8.47009 6.7625 12.0816 5.89084 9.45496 7.82322 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.46728 8.59074 16.5687 11.9383 6.83152 18.6428 9.18011 16.0821 5.72887 20.092 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.46728 8.59074 16.5687 9.23693 5.24313 14.6111 9.18011 16.0821 5.72887 15.7907 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 9.4886 5.73834 8.31011 11.9201 5.81927 12.6116 6.48867 12.9664 6.60405 15.0548 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 9.4886 5.73834 8.31011 11.9201 5.81927 12.6116 7.52881 14.2477 6.42289 18.2919 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 9.4886 5.73834 8.31011 8.27707 6.09782 10.5548 6.48867 12.9664 6.60405 12.321 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 9.4886 5.73834 8.31011 8.27707 6.09782 10.5548 7.52881 14.2477 6.42289 15.3294 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 6.64729 6.77279 8.13497 9.79538 9.58006 7.88519 4.69778 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 5.98006 8.06771 5.71237 9.79538 9.58006 7.88519 6.64729 6.77279 8.13497 4.69778 numMergedOcc 0
31 mol 259 unq 2 iso 0 dist 5.22111 9.12507 12.3218 5.41945 7.93997 11.858 5.59901 9.52383 5.30224 9.98105 numMergedOcc 0
