0 mol 9 unq 0 iso 0 dist 8.48677 6.55811 6.17866 13.4295 8.59513 9.77636 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.48677 6.55811 6.17866 13.4414 6.59312 11.0886 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.48677 7.36018 4.41171 13.4295 8.59513 12.2545 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.48677 7.36018 4.41171 13.4414 6.59312 10.9851 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 6.35398 4.30695 7.0964 10.7048 9.81983 14.2498 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.01567 7.33768 7.88693 8.92779 7.03544 12.7273 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.01567 7.33768 7.88693 9.76111 6.93597 10.0586 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.01567 7.29868 6.16544 8.92779 7.03544 4.30252 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 9.01567 7.29868 6.16544 9.76111 6.93597 10.716 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.70827 6.73939 15.0804 13.0224 8.67426 18.4792 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.4051 8.23446 14.1082 6.7846 7.85986 7.8619 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 8.4051 8.23446 14.1082 8.03955 4.30252 13.3176 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 8.4051 8.75662 9.62033 6.7846 7.85986 11.0098 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 8.4051 8.75662 9.62033 8.03955 4.30252 12.496 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 7.29868 7.33768 10.2653 13.7992 7.85986 17.9863 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 7.29868 7.33768 10.2653 8.92779 4.30252 12.7273 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 7.29868 9.01567 6.16544 13.7992 7.85986 12.1223 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 7.29868 9.01567 6.16544 8.92779 4.30252 7.03544 numMergedOcc 0
18 mol 24 unq 13 iso 0 dist 8.60554 8.44664 14.1496 13.2846 7.85986 19.3469 numMergedOcc 0
19 mol 24 unq 14 iso 0 dist 8.60554 8.44664 14.1496 12.3897 4.30252 18.4045 numMergedOcc 0
20 mol 24 unq 15 iso 0 dist 8.60554 9.44691 9.62033 13.2846 7.85986 11.0098 numMergedOcc 0
21 mol 24 unq 16 iso 0 dist 8.60554 9.44691 9.62033 12.3897 4.30252 12.496 numMergedOcc 0
22 mol 91 unq 0 iso 0 dist 9.30539 9.01176 9.17687 4.73184 9.97813 12.2605 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 5.9465 8.18107 9.38827 12.2908 6.89071 14.7203 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 6.97962 9.8859 9.38827 13.6054 6.89071 14.7203 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 7.02927 6.60933 10.6137 4.56372 5.54226 10.3411 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 8.8822 9.66219 4.09459 15.3211 7.40338 6.23759 numMergedOcc 0
27 mol 113 unq 1 iso 0 dist 9.66219 8.8822 4.09459 13.0914 5.35711 9.34113 numMergedOcc 0
28 mol 113 unq 2 iso 0 dist 9.66219 8.8822 4.09459 15.3211 6.23759 7.40338 numMergedOcc 0
29 mol 117 unq 0 iso 0 dist 7.70232 7.4671 4.04941 4.46691 6.5788 6.2771 numMergedOcc 0
30 mol 117 unq 1 iso 0 dist 7.4671 7.70232 4.04941 4.46691 6.2771 6.5788 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 6.28565 7.58957 7.91034 10.3933 8.98175 11.6264 numMergedOcc 0
32 mol 135 unq 0 iso 0 dist 5.62052 7.90563 6.35752 3.78012 8.72359 11.1851 numMergedOcc 0
33 mol 135 unq 1 iso 0 dist 5.62052 7.90563 6.35752 10.9403 7.02963 10.0795 numMergedOcc 0
34 mol 135 unq 2 iso 0 dist 7.85645 8.97655 6.35752 9.62654 8.72359 11.1851 numMergedOcc 0
35 mol 135 unq 3 iso 0 dist 7.85645 8.97655 6.35752 8.06169 7.02963 10.0795 numMergedOcc 0
36 mol 148 unq 0 iso 0 dist 9.91993 6.22055 4.32771 4.73245 9.17462 5.75959 numMergedOcc 0
37 mol 148 unq 1 iso 0 dist 9.91993 6.22055 4.32771 11.5545 8.74878 10.0716 numMergedOcc 0
38 mol 148 unq 2 iso 0 dist 9.99156 8.18085 4.32771 5.38701 9.17462 5.75959 numMergedOcc 0
39 mol 148 unq 3 iso 0 dist 9.99156 8.18085 4.32771 6.77599 8.74878 10.0716 numMergedOcc 0
40 mol 148 unq 4 iso 0 dist 6.22055 9.91993 4.32771 4.73245 5.75959 9.17462 numMergedOcc 0
41 mol 148 unq 5 iso 0 dist 8.18085 9.99156 4.32771 5.38701 5.75959 9.17462 numMergedOcc 0
42 mol 150 unq 0 iso 0 dist 9.96691 6.14675 4.39943 4.73768 9.01668 5.4798 numMergedOcc 0
43 mol 150 unq 1 iso 0 dist 9.96691 6.14675 4.39943 11.5728 8.74018 10.0288 numMergedOcc 0
44 mol 150 unq 2 iso 0 dist 9.96691 9.24244 5.93611 4.73768 9.01668 6.32391 numMergedOcc 0
45 mol 150 unq 3 iso 0 dist 9.96691 9.24244 5.93611 11.5728 8.74018 11.5569 numMergedOcc 0
46 mol 150 unq 4 iso 0 dist 9.8656 7.94889 4.39943 5.46333 9.01668 5.4798 numMergedOcc 0
47 mol 150 unq 5 iso 0 dist 9.8656 7.94889 4.39943 6.74495 8.74018 10.0288 numMergedOcc 0
48 mol 150 unq 6 iso 0 dist 6.14675 9.96691 4.39943 4.73768 5.4798 9.01668 numMergedOcc 0
49 mol 150 unq 7 iso 0 dist 6.14675 9.24244 4.30207 4.73768 5.4798 6.32391 numMergedOcc 0
50 mol 150 unq 8 iso 0 dist 7.94889 9.8656 4.39943 5.46333 5.4798 9.01668 numMergedOcc 0
51 mol 150 unq 9 iso 0 dist 9.24244 9.96691 5.93611 4.73768 6.32391 9.01668 numMergedOcc 0
52 mol 150 unq 10 iso 0 dist 9.24244 6.14675 4.30207 4.73768 6.32391 5.4798 numMergedOcc 0
53 mol 182 unq 0 iso 0 dist 7.09394 6.73956 6.27728 6.45169 9.98182 10.538 numMergedOcc 0
54 mol 182 unq 1 iso 0 dist 7.09394 6.73956 6.27728 6.1548 9.02127 11.9309 numMergedOcc 0
55 mol 188 unq 0 iso 0 dist 7.14503 8.10214 9.01338 8.02684 8.34477 8.4784 numMergedOcc 0
56 mol 188 unq 1 iso 0 dist 8.10214 7.14503 9.01338 8.02684 8.4784 8.34477 numMergedOcc 0
57 mol 206 unq 0 iso 0 dist 6.16414 7.33701 6.46458 4.46135 7.9416 11.4622 numMergedOcc 0
58 mol 206 unq 1 iso 0 dist 6.16414 8.0871 9.9892 4.46135 7.9416 12.5259 numMergedOcc 0
59 mol 213 unq 0 iso 0 dist 7.37798 7.73322 13.2902 4.71943 9.34602 10.4161 numMergedOcc 0
60 mol 213 unq 1 iso 0 dist 7.73322 7.37798 13.2902 4.67313 8.59946 10.7796 numMergedOcc 0
61 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 10.28 7.26232 13.8663 numMergedOcc 0
62 mol 237 unq 0 iso 0 dist 9.20822 7.41478 8.65228 7.00249 8.95332 10.5056 numMergedOcc 0
63 mol 274 unq 0 iso 0 dist 6.39866 9.45514 10.7637 4.60007 8.09181 13.9254 numMergedOcc 0
