0 mol 24 unq 0 iso 0 dist 6.36381 5.80023 7.27472 9.49646 3.73215 8.87744 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.27137 5.59268 4.79873 13.4236 12.7147 9.48085 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.81143 9.84195 7.18022 9.78839 3.39994 6.24711 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.78839 9.84195 6.24711 9.81143 3.39994 7.18022 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 7.32064 7.17843 6.85523 5.85007 8.2592 5.77326 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 7.32064 13.1649 8.65848 14.2511 7.95975 7.25801 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 4.62314 4.4651 6.85523 6.35234 8.2592 5.77326 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 4.62314 9.31889 8.65848 10.6907 7.95975 7.25801 numMergedOcc 0
8 mol 78 unq 4 iso 0 dist 5.85007 7.17843 5.77326 7.32064 8.2592 6.85523 numMergedOcc 0
9 mol 78 unq 5 iso 0 dist 6.35234 4.4651 5.77326 4.62314 8.2592 6.85523 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 7.55644 6.46605 6.53308 12.2036 7.04263 7.47974 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 9.70292 5.69671 8.57395 12.0576 11.734 8.27883 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 9.70292 5.69671 8.57395 10.4457 6.95874 5.75428 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 9.70292 5.69671 8.57395 9.59704 9.43547 9.85409 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 9.59704 5.69671 9.85409 12.0576 17.4304 8.27883 numMergedOcc 0
15 mol 95 unq 4 iso 0 dist 9.59704 5.69671 9.85409 10.4457 12.3063 5.75428 numMergedOcc 0
16 mol 95 unq 5 iso 0 dist 9.59704 5.69671 9.85409 9.70292 9.43547 8.57395 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.33961 12.7318 7.54889 10.5543 6.70343 5.2571 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.33961 12.3835 7.78931 10.5543 6.70343 8.7497 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 8.3505 10.4417 5.92242 7.34638 9.6331 7.02507 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 8.3505 11.3628 5.2571 14.2657 6.70343 7.54889 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 8.3505 13.9599 8.7497 14.2657 6.70343 7.78931 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 7.34638 10.4417 7.02507 8.3505 9.6331 5.92242 numMergedOcc 0
23 mol 98 unq 6 iso 0 dist 6.0995 9.63267 7.02507 8.32269 9.6331 5.92242 numMergedOcc 0
24 mol 98 unq 7 iso 0 dist 9.29816 14.676 7.54889 12.9554 6.70343 5.2571 numMergedOcc 0
25 mol 98 unq 8 iso 0 dist 9.29816 16.3389 7.78931 12.9554 6.70343 8.7497 numMergedOcc 0
26 mol 98 unq 9 iso 0 dist 5.08983 7.1452 7.54889 9.58039 6.70343 5.2571 numMergedOcc 0
27 mol 98 unq 10 iso 0 dist 5.08983 4.96747 7.78931 9.58039 6.70343 8.7497 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 6.67635 10.0698 7.86666 13.1156 7.49425 6.29161 numMergedOcc 0
29 mol 112 unq 0 iso 0 dist 4.77996 4.34071 5.56994 9.80187 5.11 9.05166 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 8.42219 11.8122 9.42082 16.5482 11.044 7.69765 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 6.53559 6.43966 5.51197 8.23699 5.94312 6.69691 numMergedOcc 0
32 mol 129 unq 1 iso 0 dist 6.53559 6.43966 5.51197 7.90844 9.74141 8.86944 numMergedOcc 0
33 mol 129 unq 2 iso 0 dist 8.09774 5.56946 5.51197 11.4776 5.94312 6.69691 numMergedOcc 0
34 mol 129 unq 3 iso 0 dist 8.09774 5.56946 5.51197 14.427 9.74141 8.86944 numMergedOcc 0
35 mol 129 unq 4 iso 0 dist 7.90844 6.43966 8.86944 6.53559 9.74141 5.51197 numMergedOcc 0
36 mol 129 unq 5 iso 0 dist 7.90844 6.43966 8.86944 8.23699 5.35495 6.69691 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 8.78303 6.36794 8.69531 10.6236 5.83782 9.1998 numMergedOcc 0
38 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 12.845 13.4681 7.81207 numMergedOcc 0
39 mol 167 unq 0 iso 0 dist 8.77904 6.64464 7.68266 6.48993 3.55199 6.84752 numMergedOcc 0
40 mol 167 unq 1 iso 0 dist 8.77904 5.70785 7.6616 6.48993 3.55199 7.86563 numMergedOcc 0
41 mol 167 unq 2 iso 0 dist 8.77904 7.91498 9.2289 11.1687 9.25262 7.20495 numMergedOcc 0
42 mol 167 unq 3 iso 0 dist 8.77904 7.91498 9.2289 6.48993 3.55199 7.02548 numMergedOcc 0
43 mol 167 unq 4 iso 0 dist 6.48993 6.64464 6.84752 8.77904 3.55199 7.68266 numMergedOcc 0
44 mol 167 unq 5 iso 0 dist 6.48993 5.70785 7.86563 8.77904 3.55199 7.6616 numMergedOcc 0
45 mol 167 unq 6 iso 0 dist 6.48993 7.91498 7.02548 11.1687 6.81449 7.20495 numMergedOcc 0
46 mol 167 unq 7 iso 0 dist 6.48993 7.91498 7.02548 8.77904 3.55199 9.2289 numMergedOcc 0
47 mol 184 unq 0 iso 0 dist 8.27396 4.41193 5.96423 10.1839 5.33725 8.97589 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 6.52441 11.7795 7.2793 8.16639 3.47886 9.51091 numMergedOcc 0
49 mol 186 unq 1 iso 0 dist 6.52441 11.7795 7.2793 18.1478 12.5618 7.85184 numMergedOcc 0
50 mol 188 unq 0 iso 0 dist 7.6482 6.04074 7.88013 9.30803 3.68927 9.90062 numMergedOcc 0
51 mol 188 unq 1 iso 0 dist 9.30803 6.04074 9.90062 7.6482 3.68927 7.88013 numMergedOcc 0
52 mol 197 unq 0 iso 0 dist 6.0033 7.56497 9.10817 14.8201 16.8666 9.73548 numMergedOcc 0
53 mol 223 unq 0 iso 0 dist 9.6936 8.78003 9.33543 14.1948 12.841 6.42257 numMergedOcc 0
54 mol 223 unq 1 iso 0 dist 9.36733 5.33327 9.33543 11.4037 12.841 6.42257 numMergedOcc 0
55 mol 225 unq 0 iso 0 dist 7.25438 9.20928 8.14831 15.0418 13.7858 6.50998 numMergedOcc 0
56 mol 225 unq 1 iso 0 dist 7.25438 9.20928 8.14831 15.8693 11.2712 9.09424 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 7.72489 3.51848 6.95511 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 10.7775 8.0048 8.03219 numMergedOcc 0
59 mol 259 unq 2 iso 0 dist 7.72489 5.41945 6.95511 4.95855 3.51848 5.85442 numMergedOcc 0
60 mol 270 unq 0 iso 0 dist 6.46935 5.00269 9.31275 5.98384 5.42225 8.56508 numMergedOcc 0
61 mol 270 unq 1 iso 0 dist 5.98384 5.00269 8.56508 6.46935 5.42225 9.31275 numMergedOcc 0
62 mol 274 unq 0 iso 0 dist 4.97796 4.56913 6.4611 8.97249 13.5848 9.30212 numMergedOcc 0
63 mol 274 unq 1 iso 0 dist 7.15079 4.37547 9.30212 9.39896 13.5848 6.4611 numMergedOcc 0
64 mol 292 unq 0 iso 0 dist 5.72473 8.04474 7.20674 12.7549 9.14614 8.38121 numMergedOcc 0
