0 mol 11 unq 0 iso 0 dist 6.49709 10.4181 5.96346 15.2411 10.7734 7.98326 20.2744 14.7815 10.9183 6.35398 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.40392 8.92687 8.4051 13.3777 12.176 6.72323 11.9006 15.5324 8.52463 9.41441 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.40392 8.92687 8.4051 13.3777 12.176 6.72323 8.23069 5.54419 5.11617 6.73939 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.94828 6.84017 6.16347 12.0615 6.08585 6.25843 10.7149 11.9561 7.33728 8.87757 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.94828 6.84017 6.16347 12.0615 6.08585 6.25843 14.2406 7.57578 9.34396 8.50222 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.94828 6.84017 6.16347 12.0615 6.08585 6.25843 15.6642 7.17969 10.8498 7.55264 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.83528 15.5475 6.65501 11.7625 7.06961 6.88901 12.3158 5.08437 4.4057 6.7117 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 9.83528 15.5475 6.65501 11.7625 7.06961 6.88901 8.06684 6.10456 9.67482 4.47349 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 9.83528 15.5475 6.65501 11.7625 7.06961 6.88901 9.05486 10.1136 12.0974 5.65185 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 7.54969 13.2316 6.65501 9.49967 7.06961 6.88901 11.7493 5.08437 4.4057 6.7117 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 7.54969 13.2316 6.65501 9.49967 7.06961 6.88901 5.15322 6.10456 9.67482 4.47349 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 7.54969 13.2316 6.65501 9.49967 7.06961 6.88901 9.07049 10.1136 12.0974 5.65185 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.61812 7.76066 7.80975 14.1322 5.42531 9.5057 17.1605 10.1489 10.6848 7.01812 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.61812 7.76066 7.80975 14.1322 5.42531 9.5057 21.5841 13.2001 15.3454 8.30845 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 4.68975 6.64576 5.83771 7.85849 4.60632 6.40575 9.30817 9.89303 7.41674 7.69991 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 4.68975 6.64576 5.83771 7.85849 4.60632 6.40575 10.879 9.93925 9.87376 6.23142 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 4.68975 6.64576 5.83771 7.85849 4.60632 6.40575 16.7911 14.423 14.9876 9.94764 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 4.9155 6.64576 7.80532 7.85849 5.71679 6.40575 9.30817 6.54501 7.41674 7.69991 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 4.9155 6.64576 7.80532 7.85849 5.71679 6.40575 10.879 6.49416 9.87376 6.23142 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 4.9155 6.64576 7.80532 7.85849 5.71679 6.40575 16.7911 12.5075 14.9876 9.94764 numMergedOcc 0
20 mol 134 unq 6 iso 0 dist 8.49987 5.54455 7.80532 10.2775 5.71679 6.40575 6.47843 6.54501 7.41674 7.69991 numMergedOcc 0
21 mol 134 unq 7 iso 0 dist 8.49987 5.54455 7.80532 10.2775 5.71679 6.40575 10.9399 6.49416 9.87376 6.23142 numMergedOcc 0
22 mol 134 unq 8 iso 0 dist 8.49987 5.54455 7.80532 10.2775 5.71679 6.40575 17.2658 12.5075 14.9876 9.94764 numMergedOcc 0
23 mol 134 unq 9 iso 0 dist 9.42271 5.87436 7.80532 6.08299 5.71679 6.40575 6.16353 6.54501 7.41674 7.69991 numMergedOcc 0
24 mol 134 unq 10 iso 0 dist 9.42271 5.87436 7.80532 6.08299 5.71679 6.40575 7.07625 6.49416 9.87376 6.23142 numMergedOcc 0
25 mol 134 unq 11 iso 0 dist 9.42271 5.87436 7.80532 6.08299 5.71679 6.40575 10.4858 12.5075 14.9876 9.94764 numMergedOcc 0
26 mol 134 unq 12 iso 0 dist 5.79157 12.2847 9.94764 15.5987 14.9876 6.40575 16.8272 14.423 4.60632 5.83771 numMergedOcc 0
27 mol 134 unq 13 iso 0 dist 5.79157 12.2847 9.94764 15.5987 14.9876 6.40575 15.8368 12.5075 5.71679 7.80532 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.09874 5.06341 6.22122 9.01017 6.06566 7.32087 10.5409 10.9639 7.81713 6.46704 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 6.09874 5.06341 6.22122 13.585 13.0409 8.86197 10.5409 10.9639 7.81713 6.59025 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 9.74465 5.03999 6.46704 12.3404 7.81713 7.32087 8.42326 8.03334 4.43096 6.2479 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 9.74465 5.03999 6.46704 12.3404 7.81713 7.32087 9.65078 10.9639 6.06566 6.22122 numMergedOcc 0
32 mol 181 unq 4 iso 0 dist 9.74465 5.03999 6.46704 12.3404 7.81713 7.32087 16.6829 10.7062 12.2164 7.99195 numMergedOcc 0
33 mol 181 unq 5 iso 0 dist 9.74465 13.5125 6.59025 12.3404 7.81713 8.86197 8.42326 8.03334 8.04639 6.2479 numMergedOcc 0
34 mol 181 unq 6 iso 0 dist 9.74465 13.5125 6.59025 12.3404 7.81713 8.86197 9.65078 10.9639 13.0409 6.22122 numMergedOcc 0
35 mol 181 unq 7 iso 0 dist 9.74465 13.5125 6.59025 12.3404 7.81713 8.86197 16.6829 10.7062 5.77299 7.99195 numMergedOcc 0
36 mol 232 unq 0 iso 0 dist 7.57253 5.70548 9.05071 11.059 4.9377 9.8664 14.5105 10.5803 12.3508 8.50102 numMergedOcc 0
37 mol 232 unq 1 iso 0 dist 7.57253 5.70548 9.05071 11.059 4.9377 9.8664 9.29407 8.27212 8.80479 9.40808 numMergedOcc 0
38 mol 237 unq 0 iso 0 dist 7.77366 4.61626 9.16003 11.8219 11.1554 8.10254 15.0299 18.4477 10.6582 9.20822 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 9.13226 8.85159 9.85289 6.74022 5.29529 6.88827 10.7073 7.56915 6.20558 8.52587 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 9.13226 8.85159 9.85289 6.74022 5.29529 6.88827 6.45522 11.3168 6.16703 6.39866 numMergedOcc 0
