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 13.2653 5.54419 9.33482 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 13.466 7.57578 10.9703 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 9.87281 8.27137 14.1577 6.17631 7.31767 11.4732 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 15.0931 8.34347 14.8317 numMergedOcc 0
12 mol 26 unq 1 iso 0 dist 6.88695 9.63803 8.25132 5.3315 8.34347 13.6027 numMergedOcc 0
13 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 6.93876 8.66265 13.2483 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 6.65344 8.35477 3.98306 5.29688 6.85766 10.4167 numMergedOcc 0
17 mol 59 unq 1 iso 0 dist 6.65344 8.35477 3.98306 13.1729 7.71095 10.5771 numMergedOcc 0
18 mol 71 unq 0 iso 0 dist 9.50139 9.47964 11.9362 6.53623 7.38797 14.291 numMergedOcc 0
19 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 8.78063 6.97941 9.76346 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.65047 9.70292 14.2178 5.33325 7.27724 14.1515 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 9.65047 9.59704 8.78079 5.33325 7.27724 10.3132 numMergedOcc 0
23 mol 95 unq 3 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 5.9747 7.34638 7.03983 4.75138 5.08437 9.89095 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 5.9747 7.34638 7.03983 10.4417 6.48948 7.02507 numMergedOcc 0
29 mol 98 unq 5 iso 0 dist 5.9747 7.34638 7.03983 11.3628 6.10456 12.7417 numMergedOcc 0
30 mol 98 unq 6 iso 0 dist 4.50572 6.0995 7.03983 6.88489 5.08437 9.89095 numMergedOcc 0
31 mol 98 unq 7 iso 0 dist 4.50572 6.0995 7.03983 9.63267 6.48948 7.02507 numMergedOcc 0
32 mol 98 unq 8 iso 0 dist 4.50572 6.0995 7.03983 9.82583 6.10456 12.7417 numMergedOcc 0
33 mol 98 unq 9 iso 0 dist 4.50572 9.25525 13.1657 6.88489 5.08437 15.844 numMergedOcc 0
34 mol 98 unq 10 iso 0 dist 4.50572 9.25525 13.1657 9.63267 6.48948 15.731 numMergedOcc 0
35 mol 98 unq 11 iso 0 dist 4.50572 9.25525 13.1657 9.82583 6.10456 18.1227 numMergedOcc 0
36 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 11.5656 8.69985 8.52024 numMergedOcc 0
37 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 11.5656 8.69985 14.6042 numMergedOcc 0
38 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 numMergedOcc 0
39 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 numMergedOcc 0
40 mol 115 unq 2 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 numMergedOcc 0
41 mol 115 unq 3 iso 0 dist 7.95871 9.79864 9.62029 4.86477 6.11741 9.13312 numMergedOcc 0
42 mol 115 unq 4 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 numMergedOcc 0
43 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 10.4485 7.90328 10.4223 numMergedOcc 0
44 mol 117 unq 1 iso 0 dist 6.90827 6.78655 3.55765 5.27151 7.83136 8.19331 numMergedOcc 0
45 mol 117 unq 2 iso 0 dist 6.90827 6.78655 3.55765 4.45276 7.0603 8.85711 numMergedOcc 0
46 mol 117 unq 3 iso 0 dist 8.90977 9.42037 3.55765 13.8755 7.90328 10.4223 numMergedOcc 0
47 mol 117 unq 4 iso 0 dist 8.90977 9.42037 3.55765 10.6616 7.83136 8.19331 numMergedOcc 0
48 mol 117 unq 5 iso 0 dist 8.90977 9.42037 3.55765 4.98254 7.0603 8.85711 numMergedOcc 0
49 mol 119 unq 0 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 numMergedOcc 0
50 mol 119 unq 1 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 numMergedOcc 0
51 mol 119 unq 2 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 numMergedOcc 0
52 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.61575 9.61051 11.3039 numMergedOcc 0
53 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 numMergedOcc 0
54 mol 129 unq 2 iso 0 dist 6.38163 7.90844 12.3705 8.61575 9.61051 16.2082 numMergedOcc 0
55 mol 129 unq 3 iso 0 dist 6.38163 7.90844 12.3705 10.0961 5.83384 17.1791 numMergedOcc 0
56 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 3.96103 8.70949 6.93139 numMergedOcc 0
57 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 5.6098 8.40312 9.27976 numMergedOcc 0
58 mol 131 unq 1 iso 0 dist 6.31125 9.10434 3.98662 4.29914 7.12972 10.0551 numMergedOcc 0
59 mol 131 unq 2 iso 0 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 numMergedOcc 0
60 mol 132 unq 0 iso 0 dist 8.7366 9.98509 4.04586 4.90475 7.7059 9.64688 numMergedOcc 0
61 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 numMergedOcc 0
62 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 numMergedOcc 0
63 mol 152 unq 0 iso 0 dist 8.07256 9.81212 7.68889 10.4039 8.56324 15.817 numMergedOcc 0
64 mol 152 unq 1 iso 0 dist 8.07256 9.81212 7.68889 11.1874 6.70283 12.3868 numMergedOcc 0
65 mol 152 unq 2 iso 0 dist 8.07256 9.81212 7.68889 8.36099 7.16148 9.37904 numMergedOcc 0
66 mol 205 unq 0 iso 0 dist 6.752 6.41148 8.67921 4.2475 7.45763 6.49765 numMergedOcc 0
67 mol 205 unq 1 iso 0 dist 5.4913 5.06713 8.67921 6.8901 7.45763 6.49765 numMergedOcc 0
68 mol 205 unq 2 iso 0 dist 5.4913 8.69512 12.8695 6.8901 7.45763 14.2129 numMergedOcc 0
69 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 numMergedOcc 0
70 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 numMergedOcc 0
71 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 numMergedOcc 0
72 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 numMergedOcc 0
73 mol 224 unq 3 iso 0 dist 8.46129 6.32334 5.76843 6.31508 6.65832 6.99769 numMergedOcc 0
74 mol 224 unq 4 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 numMergedOcc 0
75 mol 224 unq 5 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 numMergedOcc 0
76 mol 224 unq 6 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 numMergedOcc 0
77 mol 227 unq 0 iso 0 dist 9.07872 7.90991 13.2135 9.9474 7.09863 16.9681 numMergedOcc 0
78 mol 236 unq 0 iso 0 dist 6.11137 9.94117 10.5937 15.1664 9.99038 19.0739 numMergedOcc 0
79 mol 236 unq 1 iso 0 dist 6.11137 9.94117 10.5937 9.01197 6.27581 15.106 numMergedOcc 0
80 mol 238 unq 0 iso 0 dist 9.94315 7.13727 7.06793 12.521 5.72887 9.72188 numMergedOcc 0
81 mol 238 unq 1 iso 0 dist 8.59074 8.56975 7.06793 9.18011 5.72887 9.72188 numMergedOcc 0
82 mol 238 unq 2 iso 0 dist 9.66555 6.96382 6.82305 12.2428 6.22714 10.1172 numMergedOcc 0
83 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 numMergedOcc 0
84 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 numMergedOcc 0
85 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 numMergedOcc 0
86 mol 292 unq 0 iso 0 dist 9.30668 5.72473 7.8414 8.04474 8.2734 7.20674 numMergedOcc 0
