0 mol 11 unq 0 iso 0 dist 5.96346 10.7734 7.98326 4.10106 6.859 9.74251 10.0658 8.17605 9.09091 12.4305 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.89412 9.75966 6.03257 6.91314 6.23015 5.20798 9.29358 6.19131 6.50647 9.51568 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 7.07399 4.39605 6.03257 5.49251 6.23015 5.20798 10.2062 6.19131 6.50647 9.51568 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.40416 4.64838 9.95212 10.4416 8.54034 9.79414 6.20943 11.4087 5.82366 14.7321 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.75618 4.97119 9.95212 8.7083 8.54034 9.79414 7.82528 11.4087 5.82366 14.7321 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.87757 13.9331 8.88938 4.69295 9.16515 13.4321 9.43699 6.06874 6.63839 11.1095 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.87757 13.9331 8.88938 8.79309 9.82987 9.66912 9.43699 6.06874 6.63839 10.1706 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 8.87757 13.9331 8.88938 14.9206 9.40732 5.86134 9.43699 6.06874 6.63839 10.6614 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 8.87757 13.9331 8.88938 13.6145 6.53269 5.38592 9.43699 6.06874 6.63839 8.53931 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 8.50222 10.5328 8.88938 13.2447 9.16515 13.4321 12.8446 6.06874 6.63839 11.1095 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 8.50222 10.5328 8.88938 11.8139 9.82987 9.66912 12.8446 6.06874 6.63839 10.1706 numMergedOcc 0
11 mol 25 unq 6 iso 0 dist 8.50222 10.5328 8.88938 6.28979 9.40732 5.86134 12.8446 6.06874 6.63839 10.6614 numMergedOcc 0
12 mol 25 unq 7 iso 0 dist 8.50222 10.5328 8.88938 5.18617 6.53269 5.38592 12.8446 6.06874 6.63839 8.53931 numMergedOcc 0
13 mol 25 unq 8 iso 0 dist 7.55264 10.4337 8.88938 14.9982 9.16515 13.4321 11.7303 6.06874 6.63839 11.1095 numMergedOcc 0
14 mol 25 unq 9 iso 0 dist 7.55264 10.4337 8.88938 14.1251 9.82987 9.66912 11.7303 6.06874 6.63839 10.1706 numMergedOcc 0
15 mol 25 unq 10 iso 0 dist 7.55264 10.4337 8.88938 8.41421 9.40732 5.86134 11.7303 6.06874 6.63839 10.6614 numMergedOcc 0
16 mol 25 unq 11 iso 0 dist 7.55264 10.4337 8.88938 5.68041 6.53269 5.38592 11.7303 6.06874 6.63839 8.53931 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 6.95017 8.93769 11.9597 11.3654 5.54732 6.95465 12.4262 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 10.417 5.71029 6.0129 4.44979 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 10.417 5.71029 6.0129 6.61111 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 6.16242 12.131 8.95662 13.0405 8.83732 6.24625 11.3058 11.5342 9.50664 8.55349 numMergedOcc 0
21 mol 133 unq 1 iso 0 dist 5.87634 14.8102 8.95662 13.7612 8.83732 6.24625 16.0613 11.5342 9.50664 8.55349 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 6.46704 7.81713 7.32087 6.28125 9.06571 5.3698 12.1309 10.6325 9.06217 13.5513 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 6.46704 7.81713 7.32087 6.28125 9.06571 5.3698 12.2058 8.45963 7.13252 12.3338 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 6.46704 7.81713 7.32087 6.50233 7.35884 6.39406 12.1309 10.6325 9.06217 14.5897 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 6.46704 7.81713 7.32087 6.50233 7.35884 6.39406 12.2058 8.45963 7.13252 12.3788 numMergedOcc 0
26 mol 181 unq 4 iso 0 dist 6.59025 7.81713 8.86197 6.28125 9.88897 5.3698 12.1309 8.15174 9.06217 13.5513 numMergedOcc 0
27 mol 181 unq 5 iso 0 dist 6.59025 7.81713 8.86197 6.28125 9.88897 5.3698 12.2058 11.047 7.13252 12.3338 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 10.0756 4.19371 4.002 12.1599 11.8663 8.52969 11.4718 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 8.65535 11.6598 6.1886 16.4082 9.71015 7.09553 12.1599 11.8663 8.52969 15.3623 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 6.72379 7.11753 6.38324 4.66791 9.00322 7.41775 5.48258 4.26755 8.52969 7.10155 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 8.50102 6.2188 9.78181 9.74344 9.9183 14.876 7.07392 10.9886 7.10413 15.7309 numMergedOcc 0
32 mol 232 unq 1 iso 0 dist 9.40808 12.5452 9.78181 5.10213 9.9183 14.876 11.5589 10.9886 7.10413 15.7309 numMergedOcc 0
33 mol 232 unq 2 iso 0 dist 9.05071 4.9377 9.8664 5.42461 6.59036 4.68548 11.4727 16.1253 7.17337 11.4566 numMergedOcc 0
34 mol 235 unq 0 iso 0 dist 6.36341 5.5163 6.94789 13.089 7.39085 14.2323 10.4621 7.96337 6.54825 12.9537 numMergedOcc 0
35 mol 235 unq 1 iso 0 dist 6.21292 7.77516 6.94789 10.5354 7.39085 14.2323 5.65339 7.96337 6.54825 12.9537 numMergedOcc 0
36 mol 235 unq 2 iso 0 dist 9.21736 11.7254 6.94789 11.3865 7.39085 14.2323 9.96742 7.96337 6.54825 12.9537 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 8.52587 16.3619 9.16942 16.9539 8.60027 5.39432 12.5979 4.60275 9.20749 6.66172 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 6.39866 5.64601 9.16942 8.87855 8.60027 5.39432 9.19234 4.60275 9.20749 6.66172 numMergedOcc 0
