0 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 5.80023 7.36323 7.27472 12.3067 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 13.466 7.57578 10.9703 5.8503 11.9561 7.05196 15.5644 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 5.8503 11.9561 7.05196 16.1048 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.87281 8.27137 14.1577 6.17631 7.31767 11.4732 5.59268 12.4135 4.79873 10.6808 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 5.59268 11.6743 4.79873 10.6808 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 15.0931 8.34347 14.8317 14.3129 10.2542 9.12845 12.875 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 6.93876 8.66265 13.2483 7.82856 14.5295 9.2898 11.9005 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 8.78063 6.97941 9.76346 9.42791 12.4242 8.23026 10.2083 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.65047 9.70292 14.2178 5.33325 7.27724 14.1515 5.69671 8.03644 8.57395 8.41707 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 9.65047 9.59704 8.78079 5.33325 7.27724 10.3132 5.69671 8.03644 9.85409 8.41707 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 10.4417 6.48948 5.92242 9.51923 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 11.3628 6.10456 5.2571 8.40073 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 13.9599 10.1136 8.7497 10.2427 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 4.75138 5.08437 5.10496 9.51923 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 11.3628 6.10456 5.2571 9.42358 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 13.9599 10.1136 8.7497 13.9786 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 4.75138 5.08437 5.10496 8.40073 numMergedOcc 0
17 mol 98 unq 7 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 10.4417 6.48948 5.92242 9.42358 numMergedOcc 0
18 mol 98 unq 8 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 13.9599 10.1136 8.7497 5.02887 numMergedOcc 0
19 mol 98 unq 9 iso 0 dist 5.9747 7.34638 7.03983 4.75138 5.08437 9.89095 10.4417 6.48948 7.02507 9.51923 numMergedOcc 0
20 mol 98 unq 10 iso 0 dist 5.9747 7.34638 7.03983 11.3628 6.10456 12.7417 10.4417 6.48948 7.02507 9.42358 numMergedOcc 0
21 mol 98 unq 11 iso 0 dist 4.50572 6.0995 7.03983 6.88489 5.08437 9.89095 9.63267 6.48948 7.02507 9.51923 numMergedOcc 0
22 mol 98 unq 12 iso 0 dist 4.50572 6.0995 7.03983 9.82583 6.10456 12.7417 9.63267 6.48948 7.02507 9.42358 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 11.5656 8.69985 8.52024 14.8479 13.1098 9.89083 7.15843 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 5.28901 7.30858 6.04595 10.8507 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 5.28901 7.30858 6.04595 11.5723 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 10.4485 7.90328 10.4223 5.27151 7.83136 8.19331 7.22206 numMergedOcc 0
27 mol 117 unq 1 iso 0 dist 6.90827 6.78655 3.55765 10.4485 7.90328 10.4223 4.45276 7.0603 8.85711 9.3584 numMergedOcc 0
28 mol 117 unq 2 iso 0 dist 6.90827 6.78655 3.55765 5.27151 7.83136 8.19331 4.45276 7.0603 8.85711 7.21564 numMergedOcc 0
29 mol 117 unq 3 iso 0 dist 6.90827 6.78655 3.55765 4.45276 7.0603 8.85711 5.27151 7.83136 8.19331 7.21564 numMergedOcc 0
30 mol 117 unq 4 iso 0 dist 8.90977 9.42037 3.55765 13.8755 7.90328 10.4223 10.6616 7.83136 8.19331 7.22206 numMergedOcc 0
31 mol 117 unq 5 iso 0 dist 8.90977 9.42037 3.55765 13.8755 7.90328 10.4223 4.98254 7.0603 8.85711 9.3584 numMergedOcc 0
32 mol 117 unq 6 iso 0 dist 8.90977 9.42037 3.55765 10.6616 7.83136 8.19331 4.98254 7.0603 8.85711 7.21564 numMergedOcc 0
33 mol 117 unq 7 iso 0 dist 8.90977 9.42037 3.55765 4.98254 7.0603 8.85711 10.6616 7.83136 8.19331 7.21564 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 12.7349 13.4378 9.77575 16.1743 numMergedOcc 0
35 mol 119 unq 1 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 12.7349 19.9505 9.77575 24.6691 numMergedOcc 0
36 mol 119 unq 2 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 12.7349 15.7043 9.77575 20.0275 numMergedOcc 0
37 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.61575 9.61051 11.3039 6.43966 10.1333 5.51197 10.4792 numMergedOcc 0
38 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 6.43966 10.1333 5.51197 14.6152 numMergedOcc 0
39 mol 129 unq 2 iso 0 dist 6.38163 7.90844 12.3705 8.61575 9.61051 16.2082 6.43966 10.1333 8.86944 10.4792 numMergedOcc 0
40 mol 129 unq 3 iso 0 dist 6.38163 7.90844 12.3705 10.0961 5.83384 17.1791 6.43966 10.1333 8.86944 14.6152 numMergedOcc 0
41 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 4.29914 7.12972 10.0551 5.6098 8.40312 9.27976 5.55373 numMergedOcc 0
42 mol 131 unq 1 iso 0 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 5.6098 8.40312 9.27976 10.7062 numMergedOcc 0
43 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 6.36794 9.86662 8.69531 6.81259 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 11.9294 8.94367 9.33094 6.81259 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 6.31508 10.103 6.99769 10.9861 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 5.72088 6.57273 8.79428 4.70378 numMergedOcc 0
47 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 6.51315 5.78342 6.8692 11.5372 numMergedOcc 0
48 mol 224 unq 3 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 6.31508 10.103 6.99769 6.77699 numMergedOcc 0
49 mol 224 unq 4 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 6.51315 5.78342 6.8692 8.49799 numMergedOcc 0
50 mol 224 unq 5 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 6.31508 10.103 6.99769 11.328 numMergedOcc 0
51 mol 224 unq 6 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 5.72088 6.57273 8.79428 8.49799 numMergedOcc 0
52 mol 224 unq 7 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 5.72088 6.60589 8.79428 6.77699 numMergedOcc 0
53 mol 224 unq 8 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 6.51315 9.16166 6.8692 11.328 numMergedOcc 0
54 mol 224 unq 9 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 6.31508 6.65832 6.99769 6.77699 numMergedOcc 0
55 mol 224 unq 10 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 6.51315 9.16166 6.8692 8.49799 numMergedOcc 0
56 mol 224 unq 11 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 6.31508 6.65832 6.99769 11.328 numMergedOcc 0
57 mol 224 unq 12 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 5.72088 6.60589 8.79428 8.49799 numMergedOcc 0
58 mol 224 unq 13 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 6.31508 10.9745 6.99769 11.328 numMergedOcc 0
59 mol 224 unq 14 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 5.72088 10.5128 8.79428 8.49799 numMergedOcc 0
60 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 12.521 5.72887 9.72188 6.45589 14.6111 9.12776 15.7907 numMergedOcc 0
61 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 9.18011 5.72887 9.72188 9.23693 14.6111 9.12776 15.7907 numMergedOcc 0
62 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 5.41945 11.858 5.85442 9.98105 numMergedOcc 0
63 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 12.1767 15.9169 9.46361 15.8535 numMergedOcc 0
64 mol 259 unq 2 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 5.41945 11.858 6.95511 9.98105 numMergedOcc 0
65 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 4.37547 13.9359 9.30212 9.15171 numMergedOcc 0
