0 mol 10 unq 0 iso 0 dist 9.09015 9.573 7.83083 7.70383 3.3748 6.90469 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.82815 12.3587 7.83083 10.1589 3.3748 6.90469 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 7.70383 9.573 6.90469 9.09015 3.3748 7.83083 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.74777 6.22149 8.11143 10.872 7.83805 8.9776 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.48328 4.99432 5.43913 11.5119 5.62671 8.26877 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.56288 4.75717 7.51319 5.97559 2.58673 8.49887 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 5.97559 4.75717 8.49887 6.56288 2.58673 7.51319 numMergedOcc 0
7 mol 116 unq 0 iso 0 dist 7.65919 5.88698 9.12145 11.0638 7.59881 8.11048 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 5.86693 8.04699 9.57243 14.7271 13.315 8.12558 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 9.81187 5.28982 8.79752 10.5825 8.45723 7.29985 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 9.81187 5.28982 8.79752 8.77405 5.3861 7.58281 numMergedOcc 0
11 mol 176 unq 2 iso 0 dist 9.81187 5.28982 8.79752 8.5107 8.21185 8.8756 numMergedOcc 0
12 mol 176 unq 3 iso 0 dist 4.67031 5.34777 8.79752 8.98043 8.45723 7.29985 numMergedOcc 0
13 mol 176 unq 4 iso 0 dist 4.67031 5.34777 8.79752 6.8243 5.3861 7.58281 numMergedOcc 0
14 mol 176 unq 5 iso 0 dist 4.67031 5.34777 8.79752 8.90797 8.21185 8.8756 numMergedOcc 0
15 mol 176 unq 6 iso 0 dist 9.49412 7.10023 8.79752 13.2659 8.45723 7.29985 numMergedOcc 0
16 mol 176 unq 7 iso 0 dist 9.49412 7.10023 8.79752 11.8005 5.3861 7.58281 numMergedOcc 0
17 mol 176 unq 8 iso 0 dist 9.49412 7.10023 8.79752 13.3927 8.21185 8.8756 numMergedOcc 0
18 mol 176 unq 9 iso 0 dist 8.98043 5.34777 7.29985 4.67031 8.45723 8.79752 numMergedOcc 0
19 mol 176 unq 10 iso 0 dist 8.98043 5.34777 7.29985 6.8243 4.47711 7.58281 numMergedOcc 0
20 mol 176 unq 11 iso 0 dist 8.98043 5.34777 7.29985 8.90797 6.34877 8.8756 numMergedOcc 0
21 mol 176 unq 12 iso 0 dist 8.77405 5.28982 7.58281 9.81187 5.3861 8.79752 numMergedOcc 0
22 mol 176 unq 13 iso 0 dist 8.77405 5.28982 7.58281 10.5825 4.47711 7.29985 numMergedOcc 0
23 mol 176 unq 14 iso 0 dist 8.77405 5.28982 7.58281 8.5107 3.47516 8.8756 numMergedOcc 0
24 mol 176 unq 15 iso 0 dist 6.8243 5.34777 7.58281 4.67031 5.3861 8.79752 numMergedOcc 0
25 mol 176 unq 16 iso 0 dist 6.8243 5.34777 7.58281 8.98043 4.47711 7.29985 numMergedOcc 0
26 mol 176 unq 17 iso 0 dist 6.8243 5.34777 7.58281 8.90797 3.47516 8.8756 numMergedOcc 0
27 mol 176 unq 18 iso 0 dist 8.5107 5.28982 8.8756 9.81187 8.21185 8.79752 numMergedOcc 0
28 mol 176 unq 19 iso 0 dist 8.5107 5.28982 8.8756 10.5825 6.34877 7.29985 numMergedOcc 0
29 mol 176 unq 20 iso 0 dist 8.5107 5.28982 8.8756 8.77405 3.47516 7.58281 numMergedOcc 0
30 mol 176 unq 21 iso 0 dist 8.90797 5.34777 8.8756 4.67031 8.21185 8.79752 numMergedOcc 0
31 mol 176 unq 22 iso 0 dist 8.90797 5.34777 8.8756 8.98043 6.34877 7.29985 numMergedOcc 0
32 mol 176 unq 23 iso 0 dist 8.90797 5.34777 8.8756 6.8243 3.47516 7.58281 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 4.55528 12.1121 7.56217 4.42095 3.78714 9.81055 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 4.42095 12.1121 9.81055 4.55528 3.78714 7.56217 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 6.88386 12.5858 7.56217 4.63898 3.78714 9.81055 numMergedOcc 0
36 mol 194 unq 3 iso 0 dist 4.63898 12.5858 9.81055 6.88386 3.78714 7.56217 numMergedOcc 0
37 mol 194 unq 4 iso 0 dist 9.53641 17.439 9.81055 11.9425 3.78714 7.56217 numMergedOcc 0
38 mol 204 unq 0 iso 0 dist 9.38235 8.80016 9.92651 12.8098 4.97009 9.41594 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 9.31268 5.98533 8.62485 11.8771 3.92744 9.37688 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 8.58013 4.8687 6.3093 12.7759 6.8233 9.80396 numMergedOcc 0
41 mol 254 unq 0 iso 0 dist 8.46816 5.21462 7.02613 12.2632 13.3862 8.95185 numMergedOcc 0
42 mol 254 unq 1 iso 0 dist 7.94753 5.4699 5.83039 9.99046 2.67738 6.74364 numMergedOcc 0
43 mol 254 unq 2 iso 0 dist 9.99046 5.4699 6.74364 7.94753 2.67738 5.83039 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 9.05879 9.12522 8.14743 10.354 2.95376 8.75943 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 6.67548 5.14663 8.14743 5.57579 2.95376 8.75943 numMergedOcc 0
46 mol 264 unq 2 iso 0 dist 5.57579 5.14663 8.75943 6.67548 2.95376 8.14743 numMergedOcc 0
47 mol 266 unq 0 iso 0 dist 7.43884 6.58663 4.95415 9.82944 3.00605 7.36137 numMergedOcc 0
48 mol 266 unq 1 iso 0 dist 7.43884 7.56583 6.38519 9.82944 3.00605 6.83784 numMergedOcc 0
