0 mol 10 unq 0 iso 0 dist 9.09015 7.70383 3.3748 9.573 7.83083 6.90469 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.09015 7.70383 3.3748 14.7081 9.05394 11.2649 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 7.70383 9.09015 3.3748 9.573 6.90469 7.83083 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.72036 9.3718 9.30704 10.5856 8.81562 15.9294 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.56288 5.97559 2.58673 4.75717 7.51319 8.49887 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.56288 5.97559 2.58673 15.811 9.43839 10.329 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 5.97559 6.56288 2.58673 12.9091 8.66427 10.9038 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 5.97559 6.56288 2.58673 4.75717 8.49887 7.51319 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 6.33923 9.9801 6.13173 10.001 8.11813 11.2906 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 7.65919 8.55413 9.76537 5.88698 9.12145 13.31 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 9.81187 9.71347 3.00778 5.28982 8.79752 10.0335 numMergedOcc 0
11 mol 176 unq 1 iso 0 dist 9.81187 8.77405 5.3861 5.28982 8.79752 7.58281 numMergedOcc 0
12 mol 176 unq 2 iso 0 dist 9.81187 8.5107 8.21185 5.28982 8.79752 8.8756 numMergedOcc 0
13 mol 176 unq 3 iso 0 dist 4.67031 6.20326 3.00778 5.34777 8.79752 10.0335 numMergedOcc 0
14 mol 176 unq 4 iso 0 dist 4.67031 8.98043 8.45723 5.34777 8.79752 7.29985 numMergedOcc 0
15 mol 176 unq 5 iso 0 dist 4.67031 6.8243 5.3861 5.34777 8.79752 7.58281 numMergedOcc 0
16 mol 176 unq 6 iso 0 dist 4.67031 8.90797 8.21185 5.34777 8.79752 8.8756 numMergedOcc 0
17 mol 176 unq 7 iso 0 dist 8.98043 4.67031 8.45723 5.34777 7.29985 8.79752 numMergedOcc 0
18 mol 176 unq 8 iso 0 dist 8.98043 6.20326 9.21089 5.34777 7.29985 10.0335 numMergedOcc 0
19 mol 176 unq 9 iso 0 dist 8.98043 6.8243 4.47711 5.34777 7.29985 7.58281 numMergedOcc 0
20 mol 176 unq 10 iso 0 dist 8.98043 8.90797 6.34877 5.34777 7.29985 8.8756 numMergedOcc 0
21 mol 176 unq 11 iso 0 dist 8.77405 9.81187 5.3861 5.28982 7.58281 8.79752 numMergedOcc 0
22 mol 176 unq 12 iso 0 dist 8.77405 9.71347 5.04828 5.28982 7.58281 10.0335 numMergedOcc 0
23 mol 176 unq 13 iso 0 dist 8.77405 8.5107 3.47516 5.28982 7.58281 8.8756 numMergedOcc 0
24 mol 176 unq 14 iso 0 dist 6.8243 4.67031 5.3861 5.34777 7.58281 8.79752 numMergedOcc 0
25 mol 176 unq 15 iso 0 dist 6.8243 6.20326 5.04828 5.34777 7.58281 10.0335 numMergedOcc 0
26 mol 176 unq 16 iso 0 dist 6.8243 8.98043 4.47711 5.34777 7.58281 7.29985 numMergedOcc 0
27 mol 176 unq 17 iso 0 dist 6.8243 8.90797 3.47516 5.34777 7.58281 8.8756 numMergedOcc 0
28 mol 176 unq 18 iso 0 dist 8.5107 9.81187 8.21185 5.28982 8.8756 8.79752 numMergedOcc 0
29 mol 176 unq 19 iso 0 dist 8.5107 9.71347 6.79616 5.28982 8.8756 10.0335 numMergedOcc 0
30 mol 176 unq 20 iso 0 dist 8.5107 8.77405 3.47516 5.28982 8.8756 7.58281 numMergedOcc 0
31 mol 176 unq 21 iso 0 dist 8.90797 4.67031 8.21185 5.34777 8.8756 8.79752 numMergedOcc 0
32 mol 176 unq 22 iso 0 dist 8.90797 6.20326 6.79616 5.34777 8.8756 10.0335 numMergedOcc 0
33 mol 176 unq 23 iso 0 dist 8.90797 8.98043 6.34877 5.34777 8.8756 7.29985 numMergedOcc 0
34 mol 176 unq 24 iso 0 dist 8.90797 6.8243 3.47516 5.34777 8.8756 7.58281 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 4.55528 4.42095 3.78714 12.1121 7.56217 9.81055 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 4.42095 4.55528 3.78714 12.1121 9.81055 7.56217 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 6.88386 4.63898 3.78714 12.5858 7.56217 9.81055 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 4.63898 6.88386 3.78714 12.5858 9.81055 7.56217 numMergedOcc 0
39 mol 204 unq 0 iso 0 dist 9.38235 8.95509 8.55398 8.80016 9.92651 11.7622 numMergedOcc 0
40 mol 204 unq 1 iso 0 dist 9.98617 9.60981 10.064 14.5106 9.26192 18.2944 numMergedOcc 0
41 mol 204 unq 2 iso 0 dist 9.98617 7.15344 2.95898 14.5106 9.26192 10.6368 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 5.79883 7.45508 12.7924 5.28237 5.19729 12.203 numMergedOcc 0
43 mol 254 unq 0 iso 0 dist 7.94753 9.99046 2.67738 5.4699 5.83039 6.74364 numMergedOcc 0
44 mol 254 unq 1 iso 0 dist 9.99046 7.94753 2.67738 5.4699 6.74364 5.83039 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 6.67548 5.57579 2.95376 5.14663 8.14743 8.75943 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 5.57579 6.67548 2.95376 5.14663 8.75943 8.14743 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 5.77565 6.32853 5.57024 7.77559 8.67957 10.7454 numMergedOcc 0
