0 mol 7 unq 0 iso 0 dist 7.5706 9.0379 6.28925 13.6105 8.48947 6.88805 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 6.28925 9.0379 7.5706 6.88805 8.48947 13.6105 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.5706 15.4949 8.70159 13.6105 8.48947 13.156 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 8.70159 15.4949 7.5706 13.156 8.48947 13.6105 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 6.28925 13.2247 8.70159 6.88805 8.48947 13.156 numMergedOcc 0
5 mol 7 unq 1 iso 1 dist 8.70159 13.2247 6.28925 13.156 8.48947 6.88805 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 5.61656 5.03351 8.67487 7.87571 7.02425 6.24924 numMergedOcc 0
7 mol 30 unq 0 iso 1 dist 8.67487 5.03351 5.61656 6.24924 7.02425 7.87571 numMergedOcc 0
8 mol 30 unq 1 iso 0 dist 5.61656 5.34368 6.95343 7.87571 7.02425 9.62374 numMergedOcc 0
9 mol 30 unq 1 iso 1 dist 6.95343 5.34368 5.61656 9.62374 7.02425 7.87571 numMergedOcc 0
10 mol 30 unq 1 iso 0 dist 8.67487 6.89466 6.95343 6.24924 7.02425 9.62374 numMergedOcc 0
11 mol 30 unq 1 iso 1 dist 6.95343 6.89466 8.67487 9.62374 7.02425 6.24924 numMergedOcc 0
12 mol 30 unq 2 iso 0 dist 8.83766 5.5577 7.27268 9.67807 5.77851 6.54878 numMergedOcc 0
13 mol 30 unq 2 iso 1 dist 7.27268 5.5577 8.83766 6.54878 5.77851 9.67807 numMergedOcc 0
14 mol 30 unq 3 iso 0 dist 8.83766 5.5577 7.27268 8.85333 8.41189 5.53425 numMergedOcc 0
15 mol 30 unq 3 iso 1 dist 7.27268 5.5577 8.83766 5.53425 8.41189 8.85333 numMergedOcc 0
16 mol 30 unq 4 iso 0 dist 8.83766 5.5577 7.27268 4.06512 9.21122 5.62773 numMergedOcc 0
17 mol 30 unq 4 iso 1 dist 7.27268 5.5577 8.83766 5.62773 9.21122 4.06512 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 9.30021 6.9948 5.62635 4.41789 8.67263 5.59906 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 5.62635 6.9948 9.30021 5.59906 8.67263 4.41789 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 9.30021 6.9948 5.62635 7.40484 6.79353 5.48575 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 5.62635 6.9948 9.30021 5.48575 6.79353 7.40484 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 9.30021 6.9948 5.62635 7.77058 8.60897 8.75957 numMergedOcc 0
23 mol 85 unq 2 iso 1 dist 5.62635 6.9948 9.30021 8.75957 8.60897 7.77058 numMergedOcc 0
24 mol 86 unq 0 iso 0 dist 7.73058 12.6999 6.81209 9.06034 6.15557 5.9022 numMergedOcc 0
25 mol 86 unq 0 iso 1 dist 6.81209 12.6999 7.73058 5.9022 6.15557 9.06034 numMergedOcc 0
26 mol 86 unq 1 iso 0 dist 7.73058 9.22735 8.54122 9.06034 6.15557 4.49936 numMergedOcc 0
27 mol 86 unq 1 iso 1 dist 8.54122 9.22735 7.73058 4.49936 6.15557 9.06034 numMergedOcc 0
28 mol 86 unq 1 iso 0 dist 6.81209 7.03817 8.54122 5.9022 6.15557 4.49936 numMergedOcc 0
29 mol 86 unq 1 iso 1 dist 8.54122 7.03817 6.81209 4.49936 6.15557 5.9022 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 9.70093 9.93257 6.69217 9.85023 6.16682 8.84069 numMergedOcc 0
31 mol 119 unq 0 iso 1 dist 6.69217 9.93257 9.70093 8.84069 6.16682 9.85023 numMergedOcc 0
32 mol 157 unq 0 iso 0 dist 7.02823 12.4918 8.97404 9.13808 7.98849 10.308 numMergedOcc 0
33 mol 157 unq 0 iso 1 dist 8.97404 12.4918 7.02823 10.308 7.98849 9.13808 numMergedOcc 0
34 mol 157 unq 1 iso 0 dist 7.02823 12.4918 8.97404 5.40634 8.18386 10.5879 numMergedOcc 0
35 mol 157 unq 1 iso 1 dist 8.97404 12.4918 7.02823 10.5879 8.18386 5.40634 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 5.08591 6.2715 8.03727 5.00913 8.2071 11.1374 numMergedOcc 0
37 mol 175 unq 0 iso 1 dist 8.03727 6.2715 5.08591 11.1374 8.2071 5.00913 numMergedOcc 0
38 mol 175 unq 1 iso 0 dist 5.08591 6.2715 8.03727 5.42675 8.88578 10.604 numMergedOcc 0
39 mol 175 unq 1 iso 1 dist 8.03727 6.2715 5.08591 10.604 8.88578 5.42675 numMergedOcc 0
40 mol 213 unq 0 iso 0 dist 8.29133 5.45334 8.96646 10.1881 8.52247 13.4142 numMergedOcc 0
41 mol 213 unq 0 iso 1 dist 8.96646 5.45334 8.29133 13.4142 8.52247 10.1881 numMergedOcc 0
42 mol 219 unq 0 iso 0 dist 5.40597 7.02195 7.66784 9.13819 6.83121 11.6561 numMergedOcc 0
43 mol 219 unq 0 iso 1 dist 7.66784 7.02195 5.40597 11.6561 6.83121 9.13819 numMergedOcc 0
44 mol 219 unq 1 iso 0 dist 5.40597 13.4387 8.69579 9.13819 6.83121 11.1178 numMergedOcc 0
45 mol 219 unq 1 iso 1 dist 8.69579 13.4387 5.40597 11.1178 6.83121 9.13819 numMergedOcc 0
46 mol 219 unq 2 iso 0 dist 5.40597 10.8119 6.71733 9.13819 6.83121 4.72332 numMergedOcc 0
47 mol 219 unq 2 iso 1 dist 6.71733 10.8119 5.40597 4.72332 6.83121 9.13819 numMergedOcc 0
48 mol 219 unq 1 iso 0 dist 7.66784 10.7348 8.69579 11.6561 6.83121 11.1178 numMergedOcc 0
49 mol 219 unq 1 iso 1 dist 8.69579 10.7348 7.66784 11.1178 6.83121 11.6561 numMergedOcc 0
50 mol 219 unq 2 iso 0 dist 7.66784 10.6748 6.71733 11.6561 6.83121 4.72332 numMergedOcc 0
51 mol 219 unq 2 iso 1 dist 6.71733 10.6748 7.66784 4.72332 6.83121 11.6561 numMergedOcc 0
52 mol 219 unq 2 iso 0 dist 8.69579 6.74494 6.71733 11.1178 6.83121 4.72332 numMergedOcc 0
53 mol 219 unq 2 iso 1 dist 6.71733 6.74494 8.69579 4.72332 6.83121 11.1178 numMergedOcc 0
54 mol 229 unq 0 iso 0 dist 7.77578 7.9315 7.38552 6.83765 7.8168 7.22525 numMergedOcc 0
55 mol 229 unq 0 iso 1 dist 7.38552 7.9315 7.77578 7.22525 7.8168 6.83765 numMergedOcc 0
56 mol 234 unq 0 iso 0 dist 7.72403 5.88703 6.35438 5.53885 9.18416 3.95629 numMergedOcc 0
57 mol 234 unq 0 iso 1 dist 6.35438 5.88703 7.72403 3.95629 9.18416 5.53885 numMergedOcc 0
58 mol 234 unq 1 iso 0 dist 7.72403 15.2225 9.57132 5.53885 9.18416 12.8018 numMergedOcc 0
59 mol 234 unq 1 iso 1 dist 9.57132 15.2225 7.72403 12.8018 9.18416 5.53885 numMergedOcc 0
60 mol 234 unq 1 iso 0 dist 6.35438 10.2693 9.57132 3.95629 9.18416 12.8018 numMergedOcc 0
61 mol 234 unq 1 iso 1 dist 9.57132 10.2693 6.35438 12.8018 9.18416 3.95629 numMergedOcc 0
62 mol 239 unq 0 iso 0 dist 5.45139 12.7454 8.10769 10.3 9.50048 8.7363 numMergedOcc 0
63 mol 239 unq 0 iso 1 dist 8.10769 12.7454 5.45139 8.7363 9.50048 10.3 numMergedOcc 0
64 mol 244 unq 0 iso 0 dist 7.27258 8.32749 5.29811 9.08418 6.22884 8.57313 numMergedOcc 0
65 mol 244 unq 0 iso 1 dist 5.29811 8.32749 7.27258 8.57313 6.22884 9.08418 numMergedOcc 0
66 mol 244 unq 1 iso 0 dist 7.27258 8.32749 5.29811 9.51776 8.69671 6.1597 numMergedOcc 0
67 mol 244 unq 1 iso 1 dist 5.29811 8.32749 7.27258 6.1597 8.69671 9.51776 numMergedOcc 0
68 mol 244 unq 2 iso 0 dist 7.27258 8.32749 5.29811 11.589 7.67041 5.8752 numMergedOcc 0
69 mol 244 unq 2 iso 1 dist 5.29811 8.32749 7.27258 5.8752 7.67041 11.589 numMergedOcc 0
70 mol 270 unq 0 iso 0 dist 8.34847 10.6327 9.73905 4.52348 6.65704 10.8041 numMergedOcc 0
71 mol 270 unq 0 iso 1 dist 9.73905 10.6327 8.34847 10.8041 6.65704 4.52348 numMergedOcc 0
72 mol 270 unq 1 iso 0 dist 8.34847 10.6327 9.73905 3.87381 7.33514 10.9318 numMergedOcc 0
73 mol 270 unq 1 iso 1 dist 9.73905 10.6327 8.34847 10.9318 7.33514 3.87381 numMergedOcc 0
74 mol 273 unq 0 iso 0 dist 6.70271 5.50577 6.08532 12.2939 9.31904 9.38086 numMergedOcc 0
75 mol 273 unq 0 iso 1 dist 6.08532 5.50577 6.70271 9.38086 9.31904 12.2939 numMergedOcc 0
76 mol 273 unq 1 iso 0 dist 6.70271 5.50577 6.08532 5.75897 8.93651 6.08661 numMergedOcc 0
77 mol 273 unq 1 iso 1 dist 6.08532 5.50577 6.70271 6.08661 8.93651 5.75897 numMergedOcc 0
