0 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 9.10345 13.4212 9.20237 10.7434 4.86198 9.92478 15.6544 numMergedOcc 0
1 mol 72 unq 0 iso 1 dist 9.96708 9.10345 13.4212 9.55118 5.69391 9.20237 10.7434 4.86198 15.6544 9.92478 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 9.78528 9.55118 9.78221 9.10345 11.6634 9.20237 10.7434 6.62699 9.92478 15.6544 numMergedOcc 0
3 mol 72 unq 1 iso 1 dist 9.78528 9.10345 11.6634 9.55118 9.78221 9.20237 10.7434 6.62699 15.6544 9.92478 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 9.03572 8.27883 4.99174 5.75428 4.46005 6.27231 4.73066 7.51733 4.3439 6.05855 numMergedOcc 0
5 mol 95 unq 0 iso 1 dist 9.03572 5.75428 4.46005 8.27883 4.99174 6.27231 4.73066 7.51733 6.05855 4.3439 numMergedOcc 0
6 mol 95 unq 1 iso 0 dist 9.03572 8.27883 4.99174 8.57395 8.28518 11.734 4.73066 7.51733 4.3439 11.1729 numMergedOcc 0
7 mol 95 unq 1 iso 1 dist 9.03572 8.57395 8.28518 8.27883 4.99174 11.734 4.73066 7.51733 11.1729 4.3439 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 9.03572 8.27883 4.99174 9.85409 15.917 17.4304 4.73066 7.51733 4.3439 14.5416 numMergedOcc 0
9 mol 95 unq 2 iso 1 dist 9.03572 9.85409 15.917 8.27883 4.99174 17.4304 4.73066 7.51733 14.5416 4.3439 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 9.03572 5.75428 4.46005 8.57395 8.28518 6.95874 4.73066 7.51733 6.05855 11.1729 numMergedOcc 0
11 mol 95 unq 1 iso 1 dist 9.03572 8.57395 8.28518 5.75428 4.46005 6.95874 4.73066 7.51733 11.1729 6.05855 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 9.03572 5.75428 4.46005 9.85409 15.917 12.3063 4.73066 7.51733 6.05855 14.5416 numMergedOcc 0
13 mol 95 unq 2 iso 1 dist 9.03572 9.85409 15.917 5.75428 4.46005 12.3063 4.73066 7.51733 14.5416 6.05855 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 9.03572 8.57395 8.28518 9.85409 15.917 9.43547 4.73066 7.51733 11.1729 14.5416 numMergedOcc 0
15 mol 95 unq 2 iso 1 dist 9.03572 9.85409 15.917 8.57395 8.28518 9.43547 4.73066 7.51733 14.5416 11.1729 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 8.83255 8.27883 8.67311 5.75428 3.94293 6.27231 4.73066 9.01607 4.3439 6.05855 numMergedOcc 0
17 mol 95 unq 3 iso 1 dist 8.83255 5.75428 3.94293 8.27883 8.67311 6.27231 4.73066 9.01607 6.05855 4.3439 numMergedOcc 0
18 mol 95 unq 4 iso 0 dist 8.83255 8.27883 8.67311 8.57395 9.22202 11.734 4.73066 9.01607 4.3439 11.1729 numMergedOcc 0
19 mol 95 unq 4 iso 1 dist 8.83255 8.57395 9.22202 8.27883 8.67311 11.734 4.73066 9.01607 11.1729 4.3439 numMergedOcc 0
20 mol 95 unq 5 iso 0 dist 8.83255 8.27883 8.67311 9.85409 13.7484 17.4304 4.73066 9.01607 4.3439 14.5416 numMergedOcc 0
21 mol 95 unq 5 iso 1 dist 8.83255 9.85409 13.7484 8.27883 8.67311 17.4304 4.73066 9.01607 14.5416 4.3439 numMergedOcc 0
22 mol 95 unq 4 iso 0 dist 8.83255 5.75428 3.94293 8.57395 9.22202 6.95874 4.73066 9.01607 6.05855 11.1729 numMergedOcc 0
23 mol 95 unq 4 iso 1 dist 8.83255 8.57395 9.22202 5.75428 3.94293 6.95874 4.73066 9.01607 11.1729 6.05855 numMergedOcc 0
24 mol 95 unq 5 iso 0 dist 8.83255 5.75428 3.94293 9.85409 13.7484 12.3063 4.73066 9.01607 6.05855 14.5416 numMergedOcc 0
25 mol 95 unq 5 iso 1 dist 8.83255 9.85409 13.7484 5.75428 3.94293 12.3063 4.73066 9.01607 14.5416 6.05855 numMergedOcc 0
26 mol 95 unq 5 iso 0 dist 8.83255 8.57395 9.22202 9.85409 13.7484 9.43547 4.73066 9.01607 11.1729 14.5416 numMergedOcc 0
27 mol 95 unq 5 iso 1 dist 8.83255 9.85409 13.7484 8.57395 9.22202 9.43547 4.73066 9.01607 14.5416 11.1729 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 6.48948 5.92242 3.9764 7.02507 7.03983 9.6331 13.2057 7.92856 11.36 8.7081 numMergedOcc 0
29 mol 98 unq 0 iso 1 dist 6.48948 7.02507 7.03983 5.92242 3.9764 9.6331 13.2057 7.92856 8.7081 11.36 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 6.10456 7.54889 10.4782 5.2571 3.9764 6.70343 12.7473 7.92856 17.395 11.36 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 12.7473 7.92856 11.36 17.395 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 8.0427 7.57713 6.38762 4.69658 6.87434 5.92828 9.1247 numMergedOcc 0
33 mol 112 unq 0 iso 1 dist 7.71338 8.0427 7.57713 8.47988 6.95317 6.38762 4.69658 6.87434 9.1247 5.92828 numMergedOcc 0
34 mol 142 unq 0 iso 0 dist 9.2313 7.81207 4.67662 7.18002 13.5913 13.4681 4.05822 8.04118 5.42679 11.1832 numMergedOcc 0
35 mol 142 unq 0 iso 1 dist 9.2313 7.18002 13.5913 7.81207 4.67662 13.4681 4.05822 8.04118 11.1832 5.42679 numMergedOcc 0
36 mol 142 unq 1 iso 0 dist 7.73169 7.81207 5.81599 7.18002 9.99555 13.4681 4.05822 8.39035 5.42679 11.1832 numMergedOcc 0
37 mol 142 unq 1 iso 1 dist 7.73169 7.18002 9.99555 7.81207 5.81599 13.4681 4.05822 8.39035 11.1832 5.42679 numMergedOcc 0
38 mol 143 unq 0 iso 0 dist 5.99315 7.36975 13.1926 5.40637 7.39837 10.1474 6.75249 8.64905 11.7801 6.60366 numMergedOcc 0
39 mol 143 unq 0 iso 1 dist 5.99315 5.40637 7.39837 7.36975 13.1926 10.1474 6.75249 8.64905 6.60366 11.7801 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 8.56324 6.59889 5.39112 8.9192 4.84714 3.55572 12.2243 9.00072 10.6225 12.4493 numMergedOcc 0
41 mol 152 unq 0 iso 1 dist 8.56324 8.9192 4.84714 6.59889 5.39112 3.55572 12.2243 9.00072 12.4493 10.6225 numMergedOcc 0
42 mol 167 unq 0 iso 0 dist 9.87651 7.20495 7.87971 9.2289 12.0033 9.25262 12.8624 5.36671 13.0085 15.3259 numMergedOcc 0
43 mol 167 unq 0 iso 1 dist 9.87651 9.2289 12.0033 7.20495 7.87971 9.25262 12.8624 5.36671 15.3259 13.0085 numMergedOcc 0
44 mol 167 unq 1 iso 0 dist 9.87651 7.20495 7.87971 7.02548 11.6011 6.81449 12.8624 5.36671 13.0085 15.6111 numMergedOcc 0
45 mol 167 unq 1 iso 1 dist 9.87651 7.02548 11.6011 7.20495 7.87971 6.81449 12.8624 5.36671 15.6111 13.0085 numMergedOcc 0
46 mol 167 unq 1 iso 0 dist 9.87651 9.2289 12.0033 7.02548 11.6011 3.55199 12.8624 5.36671 15.3259 15.6111 numMergedOcc 0
47 mol 167 unq 1 iso 1 dist 9.87651 7.02548 11.6011 9.2289 12.0033 3.55199 12.8624 5.36671 15.6111 15.3259 numMergedOcc 0
48 mol 222 unq 0 iso 0 dist 7.21333 5.56538 6.84862 7.48954 9.53117 3.58181 8.89157 5.1609 8.88902 9.83916 numMergedOcc 0
49 mol 222 unq 0 iso 1 dist 7.21333 7.48954 9.53117 5.56538 6.84862 3.58181 8.89157 5.1609 9.83916 8.88902 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 5.30224 8.03219 4.04513 6.9899 7.09907 8.0048 5.96249 9.18798 12.3781 12.745 numMergedOcc 0
51 mol 259 unq 0 iso 1 dist 5.30224 6.9899 7.09907 8.03219 4.04513 8.0048 5.96249 9.18798 12.745 12.3781 numMergedOcc 0
52 mol 259 unq 1 iso 0 dist 5.30224 8.03219 4.04513 6.9899 7.09907 8.0048 5.97386 8.25897 12.1864 10.838 numMergedOcc 0
53 mol 259 unq 1 iso 1 dist 5.30224 6.9899 7.09907 8.03219 4.04513 8.0048 5.97386 8.25897 10.838 12.1864 numMergedOcc 0
54 mol 277 unq 0 iso 0 dist 9.7748 9.35539 11.4555 8.9682 17.6038 16.9644 7.75371 5.69112 10.9065 13.9096 numMergedOcc 0
55 mol 277 unq 0 iso 1 dist 9.7748 8.9682 17.6038 9.35539 11.4555 16.9644 7.75371 5.69112 13.9096 10.9065 numMergedOcc 0
56 mol 277 unq 1 iso 0 dist 9.7748 9.35539 11.4555 8.9682 17.6038 16.9644 11.3546 7.2091 12.5292 16.9668 numMergedOcc 0
57 mol 277 unq 1 iso 1 dist 9.7748 8.9682 17.6038 9.35539 11.4555 16.9644 11.3546 7.2091 16.9668 12.5292 numMergedOcc 0
58 mol 277 unq 2 iso 0 dist 9.7748 9.35539 11.4555 6.92711 14.772 15.8851 7.75371 5.69112 10.9065 11.5963 numMergedOcc 0
59 mol 277 unq 2 iso 1 dist 9.7748 6.92711 14.772 9.35539 11.4555 15.8851 7.75371 5.69112 11.5963 10.9065 numMergedOcc 0
60 mol 277 unq 3 iso 0 dist 9.7748 9.35539 11.4555 6.92711 14.772 15.8851 11.3546 7.2091 12.5292 14.8995 numMergedOcc 0
61 mol 277 unq 3 iso 1 dist 9.7748 6.92711 14.772 9.35539 11.4555 15.8851 11.3546 7.2091 14.8995 12.5292 numMergedOcc 0
62 mol 277 unq 2 iso 0 dist 9.7748 8.9682 17.6038 6.92711 14.772 3.39114 7.75371 5.69112 13.9096 11.5963 numMergedOcc 0
63 mol 277 unq 2 iso 1 dist 9.7748 6.92711 14.772 8.9682 17.6038 3.39114 7.75371 5.69112 11.5963 13.9096 numMergedOcc 0
64 mol 277 unq 3 iso 0 dist 9.7748 8.9682 17.6038 6.92711 14.772 3.39114 11.3546 7.2091 16.9668 14.8995 numMergedOcc 0
65 mol 277 unq 3 iso 1 dist 9.7748 6.92711 14.772 8.9682 17.6038 3.39114 11.3546 7.2091 14.8995 16.9668 numMergedOcc 0
