0 mol 13 unq 0 iso 0 dist 8.43325 9.45635 9.75022 6.95614 12.4532 9.21911 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 8.52463 9.36461 5.80953 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 6.6219 8.32592 6.56748 11.4664 9.73647 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.93188 5.68215 8.10397 6.56748 11.4664 7.26334 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 4.93188 5.68215 8.10397 4.50066 8.78859 6.19899 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 4.93188 5.68215 8.10397 5.11617 4.90592 6.61696 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.24958 8.87744 7.55689 6.38336 9.32328 4.5711 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 9.24958 7.27472 5.11135 6.38336 9.32328 4.44526 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 9.24958 7.27472 5.11135 6.7828 8.16324 9.586 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 5.81959 7.6114 11.4877 5.68392 11.3646 6.29797 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 6.90155 9.48085 13.7717 6.08585 12.7162 6.53269 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 6.90155 9.48085 13.7717 9.15781 15.9412 9.81524 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 6.6492 6.55597 8.89681 5.77929 11.4352 9.16515 numMergedOcc 0
13 mol 25 unq 4 iso 0 dist 6.6492 7.07751 5.5511 5.77929 11.4352 9.82987 numMergedOcc 0
14 mol 25 unq 5 iso 0 dist 6.6492 9.49421 11.7199 5.77929 11.4352 6.53269 numMergedOcc 0
15 mol 25 unq 6 iso 0 dist 6.6492 9.49421 11.7199 6.68639 12.7621 9.81524 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 7.55695 8.4312 5.71764 5.94827 4.65127 6.63448 numMergedOcc 0
17 mol 60 unq 1 iso 0 dist 8.82176 7.48086 5.71764 5.32257 4.65127 6.63448 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 7.04044 9.73086 7.8972 5.11416 6.48232 6.14542 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 8.73253 8.68662 10.9746 6.56633 6.48232 8.96616 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 8.73253 7.4369 7.8972 6.56633 6.48232 6.14542 numMergedOcc 0
21 mol 76 unq 0 iso 0 dist 4.79949 9.85905 11.0792 6.45686 10.489 7.46095 numMergedOcc 0
22 mol 76 unq 1 iso 0 dist 7.27693 9.85905 6.48293 6.45686 9.75201 7.46095 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 8.0831 9.89083 11.0597 10.0688 14.3781 7.56755 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 10.8661 14.7366 8.67537 numMergedOcc 0
25 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 12.0175 14.7366 8.67537 numMergedOcc 0
26 mol 119 unq 2 iso 0 dist 6.37542 7.64052 9.64502 12.0175 15.9094 8.67537 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 7.1797 9.30061 9.0176 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 8.20836 7.21868 4.935 4.57832 9.30061 9.0176 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 10.1386 4.46777 5.92302 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 6.69515 8.07097 5.25982 7.42649 6.94988 5.29898 numMergedOcc 0
31 mol 154 unq 0 iso 0 dist 7.72144 8.33439 14.4682 7.51976 10.1459 8.71789 numMergedOcc 0
32 mol 154 unq 1 iso 0 dist 7.72144 8.33439 14.4682 7.23684 14.0292 5.2693 numMergedOcc 0
33 mol 186 unq 0 iso 0 dist 7.24795 8.73533 9.40383 7.30024 7.46987 9.45907 numMergedOcc 0
34 mol 186 unq 1 iso 0 dist 9.83476 7.2793 6.38897 10.5063 4.5271 6.88127 numMergedOcc 0
35 mol 186 unq 2 iso 0 dist 6.258 7.2793 8.88593 10.5063 14.8067 6.88127 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 6.85441 7.9133 9.54203 5.86489 5.91727 9.48625 numMergedOcc 0
37 mol 210 unq 0 iso 0 dist 7.63018 8.63693 6.75621 7.67559 6.78579 9.68477 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 6.35849 14.3567 9.18728 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 10.9607 12.135 8.91971 numMergedOcc 0
40 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 10.204 14.3567 9.18728 numMergedOcc 0
41 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 9.72615 12.135 8.91971 numMergedOcc 0
42 mol 229 unq 0 iso 0 dist 8.92743 7.27993 6.93188 6.65022 13.9637 9.37336 numMergedOcc 0
43 mol 229 unq 1 iso 0 dist 5.77318 6.95201 6.93188 10.2411 13.9637 9.37336 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 7.83711 6.71524 8.03712 4.9377 6.57921 9.9183 numMergedOcc 0
45 mol 234 unq 0 iso 0 dist 7.5366 7.81215 11.0592 10.0059 16.6111 7.77911 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 6.86945 7.15764 4.34126 6.35641 7.39391 8.09509 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 7.4099 9.30212 5.85225 9.5468 11.1385 7.77765 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 7.4099 6.4611 13.4431 9.5468 11.1385 9.65868 numMergedOcc 0
49 mol 274 unq 2 iso 0 dist 7.4099 6.4611 13.4431 6.70925 10.9469 8.60027 numMergedOcc 0
50 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 6.28695 7.85414 9.26157 numMergedOcc 0
