0 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 13.6482 7.12508 6.1206 13.7354 10.5461 13.2247 9.87885 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.59049 5.70228 4.7319 6.21616 6.86055 7.65889 5.61445 11.0958 10.2656 6.42835 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 9.95169 5.18617 9.48085 12.2441 12.7009 10.9391 9.49421 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.22122 4.96681 7.17969 9.95169 5.68041 9.48085 12.2441 12.8117 10.9391 9.49421 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 6.7212 11.6369 9.96708 8.16985 7.47371 7.12321 10.1721 10.8086 5.36766 9.74228 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 8.16985 7.47371 7.12321 6.12361 9.78528 8.24309 6.21799 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 6.7212 6.12361 9.78528 8.16985 7.47371 6.21799 10.1721 10.8086 7.04035 9.74228 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 6.7212 6.12361 9.78528 8.16985 7.47371 6.21799 11.6369 9.96708 8.24309 7.12321 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 6.7212 6.12361 9.78528 7.81344 9.67587 5.03251 11.4334 15.1902 5.8486 9.56773 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 9.55337 3.9764 5.10496 4.72129 6.48948 9.51923 5.92242 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 9.55337 3.9764 5.10496 12.0339 6.10456 8.40073 5.2571 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 8.05602 12.0507 5.08437 9.55337 3.9764 5.10496 16.9512 10.1136 10.2427 8.7497 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 8.05602 4.72129 6.48948 9.55337 3.9764 5.92242 12.0507 5.08437 9.51923 5.10496 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 8.05602 4.72129 6.48948 9.55337 3.9764 5.92242 12.0339 6.10456 9.42358 5.2571 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 8.05602 4.72129 6.48948 9.55337 3.9764 5.92242 16.9512 10.1136 13.9786 8.7497 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 8.05602 12.0339 6.10456 15.2414 10.4782 7.54889 18.6493 17.4071 13.659 9.64383 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 8.05602 12.0339 6.10456 15.2414 10.4782 7.54889 16.9512 10.1136 5.02887 7.78931 numMergedOcc 0
17 mol 98 unq 8 iso 0 dist 8.05602 12.0339 6.10456 9.55337 3.9764 5.2571 12.0507 5.08437 8.40073 5.10496 numMergedOcc 0
18 mol 98 unq 9 iso 0 dist 8.05602 12.0339 6.10456 9.55337 3.9764 5.2571 4.72129 6.48948 9.42358 5.92242 numMergedOcc 0
19 mol 98 unq 10 iso 0 dist 8.05602 12.0339 6.10456 9.55337 3.9764 5.2571 16.9512 10.1136 5.02887 8.7497 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 5.70279 5.85449 6.65086 10.7785 6.23008 8.91882 16.0226 13.2001 10.8375 9.21662 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 13.0202 5.00433 8.52024 19.9585 13.1098 7.15843 9.89083 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 14.8889 9.68677 7.64052 20.3425 16.4353 9.93257 8.95212 numMergedOcc 0
23 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 14.8889 9.68677 7.64052 10.6442 10.3704 4.85907 6.99446 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 15.3301 10.8635 9.33094 12.0971 9.71307 6.81259 8.69531 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 17.5459 15.0225 9.1998 15.5986 15.6507 11.6064 6.42772 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 17.5459 15.0225 9.1998 19.1641 15.9508 7.09823 8.70621 numMergedOcc 0
27 mol 134 unq 3 iso 0 dist 7.27598 12.0971 9.71307 15.3301 10.8635 8.69531 6.50005 6.37586 6.81259 9.33094 numMergedOcc 0
28 mol 134 unq 4 iso 0 dist 5.57904 6.50005 6.49416 15.3301 12.3479 9.33094 12.0971 12.5075 6.81259 8.69531 numMergedOcc 0
29 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 5.90339 4.67662 7.81207 5.50176 5.31024 5.32922 6.14151 numMergedOcc 0
30 mol 142 unq 1 iso 0 dist 7.15087 5.50176 5.31024 5.90339 4.67662 6.14151 8.68855 9.2313 5.32922 7.81207 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 5.16813 8.61343 7.54065 12.6239 11.0961 6.61112 13.9632 14.4482 7.09479 8.90571 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 5.31916 7.05804 8.79428 8.98459 10.103 6.77699 6.99769 numMergedOcc 0
33 mol 224 unq 1 iso 0 dist 9.73411 9.81806 6.57273 5.31916 7.05804 8.79428 5.99647 5.78342 8.49799 6.8692 numMergedOcc 0
34 mol 224 unq 2 iso 0 dist 9.73411 5.99647 5.78342 5.31916 7.05804 6.8692 8.98459 10.103 11.328 6.99769 numMergedOcc 0
35 mol 224 unq 3 iso 0 dist 9.73411 5.99647 5.78342 5.31916 7.05804 6.8692 9.81806 6.57273 8.49799 8.79428 numMergedOcc 0
36 mol 224 unq 4 iso 0 dist 7.75485 5.99647 5.81334 5.31916 4.54188 6.8692 8.98459 10.9745 11.328 6.99769 numMergedOcc 0
37 mol 224 unq 5 iso 0 dist 7.75485 5.99647 5.81334 5.31916 4.54188 6.8692 9.81806 10.5128 8.49799 8.79428 numMergedOcc 0
38 mol 224 unq 6 iso 0 dist 7.07564 10.8463 6.57273 11.6723 7.05804 8.79428 15.6183 10.103 6.77699 6.99769 numMergedOcc 0
39 mol 224 unq 7 iso 0 dist 7.07564 10.8463 6.57273 11.6723 7.05804 8.79428 5.44863 5.78342 8.49799 6.8692 numMergedOcc 0
40 mol 224 unq 8 iso 0 dist 7.07564 5.44863 5.78342 11.6723 7.05804 6.8692 15.6183 10.103 11.328 6.99769 numMergedOcc 0
41 mol 224 unq 9 iso 0 dist 7.07564 5.44863 5.78342 11.6723 7.05804 6.8692 10.8463 6.57273 8.49799 8.79428 numMergedOcc 0
42 mol 224 unq 10 iso 0 dist 9.11052 5.44863 5.81334 11.6723 4.54188 6.8692 15.6183 10.9745 11.328 6.99769 numMergedOcc 0
43 mol 224 unq 11 iso 0 dist 9.11052 5.44863 5.81334 11.6723 4.54188 6.8692 10.8463 10.5128 8.49799 8.79428 numMergedOcc 0
44 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 10.3383 5.70473 7.27993 10.5148 11.3979 5.1556 9.51168 numMergedOcc 0
45 mol 229 unq 1 iso 0 dist 8.8557 5.65373 8.22528 10.3383 5.70473 7.27993 11.9921 11.7165 7.0298 6.95201 numMergedOcc 0
46 mol 229 unq 2 iso 0 dist 5.00457 5.65373 7.03423 10.3383 7.22525 7.27993 10.5148 11.9282 5.1556 9.51168 numMergedOcc 0
47 mol 229 unq 3 iso 0 dist 5.00457 5.65373 7.03423 10.3383 7.22525 7.27993 11.9921 11.4362 7.0298 6.95201 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 10.7584 12.7938 9.08509 6.81118 11.0896 10.1813 6.99888 numMergedOcc 0
49 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 10.7584 11.0772 9.08509 6.81118 11.5794 10.1813 6.99888 numMergedOcc 0
50 mol 238 unq 2 iso 0 dist 6.54455 5.17954 6.22714 11.2947 12.7938 9.08509 9.12119 11.0896 10.1813 6.99888 numMergedOcc 0
51 mol 239 unq 0 iso 0 dist 8.61729 7.02319 6.16342 11.7534 10.6736 6.73665 11.6885 16.5158 11.347 9.34438 numMergedOcc 0
52 mol 239 unq 1 iso 0 dist 8.61729 7.02319 6.16342 11.7534 10.6736 6.73665 12.9234 13.7154 7.97994 9.35949 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 5.75874 5.20592 8.53687 6.95658 6.73882 9.07743 6.80302 10.5767 4.69778 7.66153 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 8.57619 5.43184 5.30224 10.5384 7.09907 6.9899 11.2159 11.858 9.98105 5.85442 numMergedOcc 0
55 mol 280 unq 0 iso 0 dist 8.80588 8.30978 6.53701 6.16546 4.90315 6.02353 5.80223 6.0664 5.51836 6.86234 numMergedOcc 0
56 mol 280 unq 1 iso 0 dist 8.80588 5.80223 6.0664 6.16546 4.90315 6.86234 8.30978 6.53701 5.51836 6.02353 numMergedOcc 0
