0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 9.67081 8.29174 16.5238 6.0225 9.72725 6.94943 14.6538 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.56794 6.05328 9.67081 8.29174 11.9068 6.0225 9.72725 11.5705 14.6538 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 7.78327 13.5229 10.6558 12.8323 9.87885 8.15894 17.9276 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 7.78327 13.5229 13.5227 12.8323 9.87885 8.45544 17.9276 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.03987 5.81959 8.4666 7.03372 9.92243 6.32857 4.77954 7.99919 8.52777 11.6392 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 6.79356 5.87468 6.21346 4.00553 9.08221 6.87028 9.10675 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 9.01812 8.37717 4.06365 6.36397 7.7068 10.7316 13.4949 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 8.85601 17.4771 13.129 4.3481 7.06939 6.9223 13.1158 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.33898 6.49956 6.86728 8.85601 17.4771 12.8901 4.3481 7.06939 7.0561 13.1158 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 9.64443 6.61823 7.24315 8.85601 10.2467 13.129 5.31547 9.36001 6.98037 10.9088 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 9.64443 6.49956 12.163 8.85601 10.2467 12.8901 5.31547 9.36001 11.0654 10.9088 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.92856 8.29813 8.67903 3.9764 5.10496 8.75597 11.36 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 7.92856 13.2057 8.67903 3.9764 5.92242 8.75597 11.36 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 6.48948 7.26086 13.4985 7.92856 13.2057 8.67903 7.03983 7.02507 13.4099 8.7081 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 6.10456 7.26086 6.934 7.92856 12.7473 8.67903 10.4782 7.54889 12.2279 17.395 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 6.10456 7.26086 6.934 7.92856 12.7473 8.67903 3.9764 5.2571 8.75597 11.36 numMergedOcc 0
16 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.87434 4.69658 4.25001 6.95317 8.47988 4.99604 5.92828 numMergedOcc 0
17 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 6.87434 4.69658 4.25001 7.57713 8.0427 10.2181 9.1247 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 8.99891 9.14188 7.87644 4.78563 5.37047 13.1913 12.5751 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 8.99891 9.14188 13.5899 4.78563 5.37047 10.6706 12.5751 numMergedOcc 0
20 mol 143 unq 2 iso 0 dist 5.99315 9.03707 7.76364 8.99891 9.14188 9.13604 4.78563 5.37047 10.8457 12.5751 numMergedOcc 0
21 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 8.99891 9.14188 12.6218 4.78563 5.37047 8.612 12.5751 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 5.87555 8.35555 5.59336 6.79114 4.68615 4.78989 4.94983 6.70693 7.1069 8.60651 numMergedOcc 0
23 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 7.59457 4.73288 9.43672 4.94983 6.70693 7.1069 10.6225 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 4.72821 4.69387 8.56547 6.42973 7.06025 8.25282 9.15383 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 7.13783 13.3822 12.0319 13.514 6.52816 10.183 19.8921 numMergedOcc 0
