0 mol 0 unq 0 iso 0 dist 7.20999 5.56011 7.65806 13.6767 9.19007 9.64573 7.08361 6.91778 9.15528 14.0232 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.20999 5.56011 7.65806 10.6033 9.56794 6.05328 7.08361 6.91778 9.15528 10.1804 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 7.29541 5.72491 5.44992 10.7937 8.72114 13.8829 10.1959 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 9.91124 7.3915 7.43529 7.97177 8.53529 4.36226 5.65816 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 12.1567 6.72502 6.58998 13.4836 8.60554 8.52463 6.99746 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 12.1567 6.72502 6.58998 11.9824 8.44664 10.971 7.6844 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.20058 16.6906 8.86116 12.1567 6.72502 6.58998 9.04355 9.44691 13.4893 7.05541 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.20058 14.9411 8.38394 12.1567 6.72502 6.59374 13.4836 8.60554 12.3994 6.99746 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.20058 14.9411 8.38394 12.1567 6.72502 6.59374 11.9824 8.44664 5.30734 7.6844 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.20058 14.9411 8.38394 12.1567 6.72502 6.59374 9.04355 9.44691 12.505 7.05541 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 6.06832 5.81959 7.63409 12.1434 8.6653 5.64303 6.61233 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 6.06832 5.81959 8.4666 12.1434 8.6653 5.82503 6.61233 numMergedOcc 0
12 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 11.8848 9.66501 4.88603 5.09324 6.31696 11.6682 12.6605 numMergedOcc 0
13 mol 52 unq 1 iso 0 dist 5.26018 10.3287 7.34143 11.8848 9.66501 12.277 5.09324 6.31696 6.66056 12.6605 numMergedOcc 0
14 mol 52 unq 2 iso 0 dist 7.1203 5.92851 9.80098 8.65709 9.66501 4.88603 10.4823 6.31696 11.6682 12.6605 numMergedOcc 0
15 mol 52 unq 3 iso 0 dist 7.1203 6.03647 7.34143 8.65709 9.66501 12.277 10.4823 6.31696 6.66056 12.6605 numMergedOcc 0
16 mol 56 unq 0 iso 0 dist 8.96238 7.43826 8.66265 6.5705 6.77886 6.03623 4.936 7.16773 6.63327 8.25666 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 14.9908 7.26086 7.32662 11.0132 6.65501 4.4057 11.2092 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 14.9908 7.26086 13.4985 11.0132 6.65501 7.42446 11.2092 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 8.05602 12.0339 6.10456 14.9908 7.26086 6.934 11.0132 6.65501 9.67482 11.2092 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 9.57933 9.00544 11.8512 5.48646 7.38135 7.11701 5.46256 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 7.04774 7.12017 9.52882 5.48646 7.38135 7.11701 9.38256 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 9.57933 9.00544 14.9392 5.48646 7.38135 11.2312 5.46256 numMergedOcc 0
23 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 7.04774 7.12017 12.6602 5.48646 7.38135 11.2312 9.38256 numMergedOcc 0
24 mol 100 unq 4 iso 0 dist 8.92577 12.7188 8.86688 9.57933 9.00544 9.01214 5.48646 7.38135 7.79768 5.46256 numMergedOcc 0
25 mol 100 unq 5 iso 0 dist 8.92577 12.7188 8.86688 7.04774 7.12017 14.8674 5.48646 7.38135 7.79768 9.38256 numMergedOcc 0
26 mol 100 unq 6 iso 0 dist 9.56324 15.1093 6.45675 6.95888 9.00544 11.8512 11.0196 7.38135 7.11701 5.46256 numMergedOcc 0
27 mol 100 unq 7 iso 0 dist 9.56324 15.1093 6.45675 10.3606 7.12017 9.52882 11.0196 7.38135 7.11701 9.38256 numMergedOcc 0
28 mol 100 unq 8 iso 0 dist 9.56324 16.8752 7.47343 6.95888 9.00544 14.9392 11.0196 7.38135 11.2312 5.46256 numMergedOcc 0
29 mol 100 unq 9 iso 0 dist 9.56324 16.8752 7.47343 10.3606 7.12017 12.6602 11.0196 7.38135 11.2312 9.38256 numMergedOcc 0
30 mol 100 unq 10 iso 0 dist 9.56324 13.0353 8.86688 6.95888 9.00544 9.01214 11.0196 7.38135 7.79768 5.46256 numMergedOcc 0
31 mol 100 unq 11 iso 0 dist 9.56324 13.0353 8.86688 10.3606 7.12017 14.8674 11.0196 7.38135 7.79768 9.38256 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 9.01694 5.34214 9.14441 10.8869 7.80523 7.74599 10.8469 numMergedOcc 0
33 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 8.9683 8.56342 4.91132 9.25614 6.52773 7.20179 6.96805 numMergedOcc 0
34 mol 119 unq 1 iso 0 dist 8.62648 4.6251 8.73993 8.9683 8.56342 4.91132 5.53673 9.23858 9.89358 13.3975 numMergedOcc 0
35 mol 119 unq 2 iso 0 dist 8.62648 4.6251 8.73993 5.50673 6.37542 6.08167 9.25614 6.52773 7.20179 4.86811 numMergedOcc 0
36 mol 119 unq 3 iso 0 dist 8.62648 4.6251 8.73993 5.50673 6.37542 6.08167 5.53673 9.23858 9.89358 8.00229 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 14.8405 9.29384 9.32969 10.5805 8.70296 14.2045 10.8127 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 14.8405 9.29384 9.32969 8.98062 9.25558 5.09131 11.2516 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 5.98568 5.53031 5.35679 12.4426 7.80532 7.41674 8.98004 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 5.98568 5.53031 8.46636 12.4426 7.80532 9.87376 8.98004 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 6.37333 5.60393 5.28092 5.07333 5.44002 10.3603 8.46033 numMergedOcc 0
42 mol 210 unq 0 iso 0 dist 8.71409 12.9212 6.18308 3.99796 5.37446 9.59996 9.069 7.10826 5.87279 7.1777 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 16.7146 7.83711 8.25884 4.95971 9.05071 8.80479 13.8622 numMergedOcc 0
