0 mol 9 unq 0 iso 0 dist 9.87449 8.64915 10.9409 8.17347 8.50857 5.43306 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.87449 8.17347 8.50857 8.64915 10.9409 5.43306 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 9.87449 8.64915 10.9409 7.83133 6.89307 11.3401 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 9.87449 7.83133 6.89307 8.64915 10.9409 11.3401 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 9.87449 8.17347 8.50857 7.83133 6.89307 6.8386 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 9.87449 7.83133 6.89307 8.17347 8.50857 6.8386 numMergedOcc 0
6 mol 11 unq 0 iso 0 dist 9.53002 4.30695 11.9464 6.35398 7.5901 7.0964 numMergedOcc 0
7 mol 11 unq 0 iso 1 dist 9.53002 6.35398 7.5901 4.30695 11.9464 7.0964 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 9.75144 7.33768 5.90981 9.01567 13.2265 7.88693 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 9.75144 9.01567 13.2265 7.33768 5.90981 7.88693 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 9.75144 7.33768 5.90981 7.29868 13.719 10.2653 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 9.75144 7.29868 13.719 7.33768 5.90981 10.2653 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 9.75144 9.01567 13.2265 7.29868 13.719 6.16544 numMergedOcc 0
13 mol 24 unq 1 iso 1 dist 9.75144 7.29868 13.719 9.01567 13.2265 6.16544 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.36431 8.91313 10.2475 8.16392 6.94695 11.5449 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 8.36431 8.16392 6.94695 8.91313 10.2475 11.5449 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.75343 8.30845 10.0891 8.76378 4.44538 13.3504 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 7.75343 8.76378 4.44538 8.30845 10.0891 13.3504 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 7.20326 7.70232 9.79891 7.4671 9.97229 4.04941 numMergedOcc 0
19 mol 117 unq 0 iso 1 dist 7.20326 7.4671 9.97229 7.70232 9.79891 4.04941 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 9.5574 6.29233 6.36036 5.42406 4.28167 4.32209 numMergedOcc 0
21 mol 126 unq 0 iso 1 dist 9.5574 5.42406 4.28167 6.29233 6.36036 4.32209 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 7.66168 7.90048 6.08911 9.99802 11.562 12.2217 numMergedOcc 0
23 mol 130 unq 0 iso 1 dist 7.66168 9.99802 11.562 7.90048 6.08911 12.2217 numMergedOcc 0
24 mol 130 unq 1 iso 0 dist 9.12581 7.90048 10.0581 9.99802 7.20197 12.2217 numMergedOcc 0
25 mol 130 unq 1 iso 1 dist 9.12581 9.99802 7.20197 7.90048 10.0581 12.2217 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 6.91348 8.70296 9.93183 9.25558 5.90177 14.5627 numMergedOcc 0
27 mol 131 unq 0 iso 1 dist 6.91348 9.25558 5.90177 8.70296 9.93183 14.5627 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 9.51418 8.70296 16.5048 9.25558 5.70899 14.5627 numMergedOcc 0
29 mol 131 unq 1 iso 1 dist 9.51418 9.25558 5.70899 8.70296 16.5048 14.5627 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 7.36119 7.30357 11.9671 8.61587 8.69711 6.12113 numMergedOcc 0
31 mol 156 unq 0 iso 1 dist 7.36119 8.61587 8.69711 7.30357 11.9671 6.12113 numMergedOcc 0
32 mol 156 unq 1 iso 0 dist 9.36805 9.44367 10.143 9.47433 10.0003 16.7026 numMergedOcc 0
33 mol 156 unq 1 iso 1 dist 9.36805 9.47433 10.0003 9.44367 10.143 16.7026 numMergedOcc 0
34 mol 181 unq 0 iso 0 dist 7.20046 9.72611 9.87435 7.99195 4.69841 12.1167 numMergedOcc 0
35 mol 181 unq 0 iso 1 dist 7.20046 7.99195 4.69841 9.72611 9.87435 12.1167 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 7.13543 9.72611 14.6648 7.99195 7.23063 12.1167 numMergedOcc 0
37 mol 181 unq 1 iso 1 dist 7.13543 7.99195 7.23063 9.72611 14.6648 12.1167 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 6.93764 5.9176 5.60306 6.41453 6.05477 9.53592 numMergedOcc 0
39 mol 181 unq 2 iso 1 dist 6.93764 6.41453 6.05477 5.9176 5.60306 9.53592 numMergedOcc 0
40 mol 182 unq 0 iso 0 dist 6.73313 6.73956 5.8726 7.09394 10.7622 6.27728 numMergedOcc 0
41 mol 182 unq 0 iso 1 dist 6.73313 7.09394 10.7622 6.73956 5.8726 6.27728 numMergedOcc 0
42 mol 194 unq 0 iso 0 dist 5.48258 8.29382 4.79043 6.72379 4.26755 6.7294 numMergedOcc 0
43 mol 194 unq 0 iso 1 dist 5.48258 6.72379 4.26755 8.29382 4.79043 6.7294 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 6.15769 8.29382 6.56076 6.72379 10.0315 6.7294 numMergedOcc 0
45 mol 194 unq 1 iso 1 dist 6.15769 6.72379 10.0315 8.29382 6.56076 6.7294 numMergedOcc 0
46 mol 197 unq 0 iso 0 dist 8.99696 7.50013 11.1666 5.81233 13.3562 5.33623 numMergedOcc 0
47 mol 197 unq 0 iso 1 dist 8.99696 5.81233 13.3562 7.50013 11.1666 5.33623 numMergedOcc 0
48 mol 197 unq 1 iso 0 dist 8.99696 7.50013 11.1666 6.92924 4.59269 9.20574 numMergedOcc 0
49 mol 197 unq 1 iso 1 dist 8.99696 6.92924 4.59269 7.50013 11.1666 9.20574 numMergedOcc 0
50 mol 197 unq 2 iso 0 dist 8.99696 7.50013 11.1666 7.14306 12.9766 10.8407 numMergedOcc 0
51 mol 197 unq 2 iso 1 dist 8.99696 7.14306 12.9766 7.50013 11.1666 10.8407 numMergedOcc 0
52 mol 197 unq 1 iso 0 dist 8.99696 5.81233 13.3562 6.92924 4.59269 11.2132 numMergedOcc 0
53 mol 197 unq 1 iso 1 dist 8.99696 6.92924 4.59269 5.81233 13.3562 11.2132 numMergedOcc 0
54 mol 197 unq 2 iso 0 dist 8.99696 5.81233 13.3562 7.14306 12.9766 9.56047 numMergedOcc 0
55 mol 197 unq 2 iso 1 dist 8.99696 7.14306 12.9766 5.81233 13.3562 9.56047 numMergedOcc 0
56 mol 197 unq 2 iso 0 dist 8.99696 6.92924 4.59269 7.14306 12.9766 8.81358 numMergedOcc 0
57 mol 197 unq 2 iso 1 dist 8.99696 7.14306 12.9766 6.92924 4.59269 8.81358 numMergedOcc 0
58 mol 197 unq 3 iso 0 dist 7.85058 7.50013 5.53129 5.81233 4.38296 5.33623 numMergedOcc 0
59 mol 197 unq 3 iso 1 dist 7.85058 5.81233 4.38296 7.50013 5.53129 5.33623 numMergedOcc 0
60 mol 197 unq 4 iso 0 dist 7.85058 7.50013 5.53129 6.92924 11.3267 9.20574 numMergedOcc 0
61 mol 197 unq 4 iso 1 dist 7.85058 6.92924 11.3267 7.50013 5.53129 9.20574 numMergedOcc 0
62 mol 197 unq 5 iso 0 dist 7.85058 7.50013 5.53129 7.14306 8.05362 10.8407 numMergedOcc 0
63 mol 197 unq 5 iso 1 dist 7.85058 7.14306 8.05362 7.50013 5.53129 10.8407 numMergedOcc 0
64 mol 197 unq 4 iso 0 dist 7.85058 5.81233 4.38296 6.92924 11.3267 11.2132 numMergedOcc 0
65 mol 197 unq 4 iso 1 dist 7.85058 6.92924 11.3267 5.81233 4.38296 11.2132 numMergedOcc 0
66 mol 197 unq 5 iso 0 dist 7.85058 5.81233 4.38296 7.14306 8.05362 9.56047 numMergedOcc 0
67 mol 197 unq 5 iso 1 dist 7.85058 7.14306 8.05362 5.81233 4.38296 9.56047 numMergedOcc 0
68 mol 197 unq 5 iso 0 dist 7.85058 6.92924 11.3267 7.14306 8.05362 8.81358 numMergedOcc 0
69 mol 197 unq 5 iso 1 dist 7.85058 7.14306 8.05362 6.92924 11.3267 8.81358 numMergedOcc 0
70 mol 197 unq 6 iso 0 dist 9.96638 7.50013 6.46195 5.81233 11.0356 5.33623 numMergedOcc 0
71 mol 197 unq 6 iso 1 dist 9.96638 5.81233 11.0356 7.50013 6.46195 5.33623 numMergedOcc 0
72 mol 197 unq 7 iso 0 dist 9.96638 7.50013 6.46195 6.92924 6.31157 9.20574 numMergedOcc 0
73 mol 197 unq 7 iso 1 dist 9.96638 6.92924 6.31157 7.50013 6.46195 9.20574 numMergedOcc 0
74 mol 197 unq 8 iso 0 dist 9.96638 7.50013 6.46195 7.14306 11.5276 10.8407 numMergedOcc 0
75 mol 197 unq 8 iso 1 dist 9.96638 7.14306 11.5276 7.50013 6.46195 10.8407 numMergedOcc 0
76 mol 197 unq 7 iso 0 dist 9.96638 5.81233 11.0356 6.92924 6.31157 11.2132 numMergedOcc 0
77 mol 197 unq 7 iso 1 dist 9.96638 6.92924 6.31157 5.81233 11.0356 11.2132 numMergedOcc 0
78 mol 197 unq 8 iso 0 dist 9.96638 5.81233 11.0356 7.14306 11.5276 9.56047 numMergedOcc 0
79 mol 197 unq 8 iso 1 dist 9.96638 7.14306 11.5276 5.81233 11.0356 9.56047 numMergedOcc 0
80 mol 197 unq 8 iso 0 dist 9.96638 6.92924 6.31157 7.14306 11.5276 8.81358 numMergedOcc 0
81 mol 197 unq 8 iso 1 dist 9.96638 7.14306 11.5276 6.92924 6.31157 8.81358 numMergedOcc 0
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84 mol 213 unq 1 iso 0 dist 9.59129 7.37798 12.1116 7.73322 9.93085 13.2902 numMergedOcc 0
85 mol 213 unq 1 iso 1 dist 9.59129 7.73322 9.93085 7.37798 12.1116 13.2902 numMergedOcc 0
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89 mol 234 unq 0 iso 1 dist 6.16063 7.32499 7.17691 6.30154 5.70413 10.0708 numMergedOcc 0
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91 mol 235 unq 0 iso 1 dist 5.65339 6.95126 4.29892 6.21292 7.96337 10.2834 numMergedOcc 0
92 mol 238 unq 0 iso 0 dist 9.90142 7.57812 10.3147 8.69104 15.6823 6.25098 numMergedOcc 0
93 mol 238 unq 0 iso 1 dist 9.90142 8.69104 15.6823 7.57812 10.3147 6.25098 numMergedOcc 0
94 mol 274 unq 0 iso 0 dist 9.19234 9.45514 12.625 6.39866 4.60275 10.7637 numMergedOcc 0
95 mol 274 unq 0 iso 1 dist 9.19234 6.39866 4.60275 9.45514 12.625 10.7637 numMergedOcc 0
