0 mol 11 unq 0 iso 0 dist 5.95165 6.50001 4.10106 3.77561 4.61088 6.54358 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 5.8503 11.9561 7.05196 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.87281 8.27137 14.1577 5.59268 12.4135 4.79873 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 7.63928 8.27137 14.321 5.59268 11.6743 4.79873 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 14.3129 10.2542 9.12845 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 7.82856 14.5295 9.2898 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 9.42791 12.4242 8.23026 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.69069 9.70292 7.26851 5.69671 11.659 8.57395 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 8.69069 9.59704 9.13016 5.69671 11.659 9.85409 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 5.9747 8.3505 3.9764 13.9599 10.1136 8.7497 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 5.9747 7.34638 7.03983 10.4417 6.48948 7.02507 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 4.50572 6.0995 7.03983 9.63267 6.48948 7.02507 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 14.8479 13.1098 9.89083 numMergedOcc 0
21 mol 109 unq 1 iso 0 dist 8.3164 9.94704 5.00433 11.5656 8.69985 8.52024 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 6.48328 8.42219 8.14031 5.24961 9.55515 6.39384 numMergedOcc 0
24 mol 115 unq 2 iso 0 dist 6.48328 8.42219 8.14031 11.8122 15.8031 9.42082 numMergedOcc 0
25 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 5.27151 7.83136 8.19331 numMergedOcc 0
26 mol 117 unq 1 iso 0 dist 6.90827 6.78655 3.55765 4.45276 7.0603 8.85711 numMergedOcc 0
27 mol 117 unq 2 iso 0 dist 8.90977 9.42037 3.55765 10.6616 7.83136 8.19331 numMergedOcc 0
28 mol 117 unq 3 iso 0 dist 8.90977 9.42037 3.55765 4.98254 7.0603 8.85711 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 8.82535 9.10803 9.20252 12.7349 15.6571 9.77575 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 6.18763 9.10803 9.85023 12.7349 13.4378 9.77575 numMergedOcc 0
31 mol 119 unq 2 iso 0 dist 8.44385 9.10803 12.4829 12.7349 19.9505 9.77575 numMergedOcc 0
32 mol 119 unq 3 iso 0 dist 5.63005 9.10803 8.84069 12.7349 15.7043 9.77575 numMergedOcc 0
33 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 6.43966 10.1333 5.51197 numMergedOcc 0
34 mol 129 unq 1 iso 0 dist 6.38163 7.90844 12.3705 6.43966 10.1333 8.86944 numMergedOcc 0
35 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 3.96103 8.70949 6.93139 numMergedOcc 0
36 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 5.6098 8.40312 9.27976 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 9.60369 8.78303 4.46337 11.9294 11.7385 9.33094 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 9.60369 8.78303 4.46337 6.36794 11.3835 8.69531 numMergedOcc 0
39 mol 134 unq 2 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 numMergedOcc 0
40 mol 134 unq 3 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 numMergedOcc 0
41 mol 154 unq 0 iso 0 dist 7.26897 5.06116 5.68978 5.5065 11.7355 8.33439 numMergedOcc 0
42 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 10.4606 10.7829 8.97626 numMergedOcc 0
43 mol 186 unq 0 iso 0 dist 8.96988 6.52441 10.6555 11.7795 16.9818 7.2793 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 6.752 6.41148 8.67921 4.2475 7.45763 6.49765 numMergedOcc 0
45 mol 205 unq 1 iso 0 dist 8.10287 5.06713 8.90569 6.8901 13.4269 6.49765 numMergedOcc 0
46 mol 205 unq 2 iso 0 dist 5.4913 5.06713 8.67921 6.8901 7.45763 6.49765 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 6.31508 10.103 6.99769 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 numMergedOcc 0
49 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 numMergedOcc 0
50 mol 224 unq 3 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 numMergedOcc 0
51 mol 224 unq 4 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 numMergedOcc 0
52 mol 224 unq 5 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 numMergedOcc 0
53 mol 224 unq 6 iso 0 dist 9.2053 6.32334 4.54188 6.31508 10.9745 6.99769 numMergedOcc 0
54 mol 224 unq 7 iso 0 dist 9.2053 6.32334 4.54188 5.72088 10.5128 8.79428 numMergedOcc 0
55 mol 224 unq 8 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 6.45589 14.6111 9.12776 numMergedOcc 0
57 mol 238 unq 1 iso 0 dist 9.94315 7.13727 7.06793 12.521 5.72887 9.72188 numMergedOcc 0
58 mol 238 unq 2 iso 0 dist 8.59074 8.56975 7.06793 9.23693 14.6111 9.12776 numMergedOcc 0
59 mol 238 unq 3 iso 0 dist 8.59074 8.56975 7.06793 9.18011 5.72887 9.72188 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.41945 11.858 5.85442 numMergedOcc 0
61 mol 259 unq 1 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 numMergedOcc 0
62 mol 259 unq 2 iso 0 dist 9.12507 7.72489 9.71793 12.1767 15.9169 9.46361 numMergedOcc 0
63 mol 259 unq 3 iso 0 dist 9.12507 7.72489 9.71793 5.41945 11.858 6.95511 numMergedOcc 0
64 mol 264 unq 0 iso 0 dist 7.36905 9.13546 5.71153 11.5671 10.4298 9.19754 numMergedOcc 0
65 mol 264 unq 1 iso 0 dist 7.36905 9.13546 5.71153 13.8765 9.90113 8.29262 numMergedOcc 0
66 mol 264 unq 2 iso 0 dist 6.83408 9.13546 6.56539 11.5671 12.864 9.19754 numMergedOcc 0
67 mol 264 unq 3 iso 0 dist 6.83408 9.13546 6.56539 13.8765 13.9815 8.29262 numMergedOcc 0
68 mol 274 unq 0 iso 0 dist 6.55855 4.97796 8.87855 4.56913 10.7806 6.4611 numMergedOcc 0
69 mol 274 unq 1 iso 0 dist 9.52894 4.97796 13.0867 4.56913 13.5896 6.4611 numMergedOcc 0
70 mol 274 unq 2 iso 0 dist 9.71801 7.15079 11.4471 4.37547 13.9359 9.30212 numMergedOcc 0
71 mol 292 unq 0 iso 0 dist 9.64124 5.72473 6.80049 8.04474 11.448 7.20674 numMergedOcc 0
72 mol 292 unq 1 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 numMergedOcc 0
