0 mol 2 unq 0 iso 0 dist 6.89072 5.67638 6.90295 8.35692 7.2721 6.81721 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.07476 5.8961 6.84216 9.46202 6.83186 11.0597 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.04534 5.71129 6.58046 9.26728 6.83186 10.7048 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 8.93826 4.75787 6.09002 5.39275 7.47395 5.47538 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 7.17695 6.21227 6.09002 5.17224 7.47395 5.47538 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 10.3497 8.25818 13.5399 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.46582 8.78063 7.61521 9.68005 7.66068 10.5019 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 6.46582 8.78063 7.61521 14.6547 9.5043 13.3187 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 6.46582 8.78063 7.61521 14.1202 8.34132 10.3032 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.86038 5.8457 8.04242 7.41484 4.18248 8.37717 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.86767 4.36935 9.59585 5.96967 7.02358 5.37655 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 7.08403 14.0364 7.02367 3.77247 7.02358 13.0914 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 9.30187 6.7814 7.78789 9.55157 9.02015 4.46691 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 8.03124 6.81949 8.38358 6.03314 9.31385 9.4846 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 8.03124 6.81949 8.38358 4.74539 6.98791 3.824 numMergedOcc 0
15 mol 120 unq 2 iso 0 dist 9.16089 5.89379 6.42623 8.9188 7.84207 5.61274 numMergedOcc 0
16 mol 120 unq 3 iso 0 dist 9.16089 5.89379 6.42623 3.71884 6.98791 3.35803 numMergedOcc 0
17 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 4.61966 8.565 6.34716 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 9.48934 6.4437 9.3273 10.5537 5.60448 6.80544 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 6.41183 5.91683 9.3273 5.51254 5.60448 6.80544 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 6.48066 6.59758 7.48734 3.56227 5.86767 3.42733 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 6.48066 6.59758 7.48734 3.96437 5.28353 8.91606 numMergedOcc 0
22 mol 168 unq 2 iso 0 dist 6.48066 5.81821 5.6125 3.56227 5.86767 6.57536 numMergedOcc 0
23 mol 168 unq 3 iso 0 dist 6.48066 5.81821 5.6125 3.96437 5.28353 4.07587 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 9.58901 4.34424 9.37946 5.74428 6.96715 5.38859 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.14525 4.94882 5.90765 13.1776 7.25595 12.1883 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.14525 4.94882 5.90765 4.10348 9.94825 6.89146 numMergedOcc 0
27 mol 213 unq 0 iso 0 dist 7.49754 7.78293 8.82761 7.61073 9.71831 4.67313 numMergedOcc 0
28 mol 213 unq 1 iso 0 dist 7.49754 4.67262 4.66576 7.61073 9.71831 7.49785 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 8.54126 5.70808 8.60731 8.96559 9.64861 6.34934 numMergedOcc 0
30 mol 232 unq 1 iso 0 dist 7.64079 4.86949 8.60731 6.09979 9.64861 6.34934 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 8.72101 4.88964 9.54359 14.313 7.98956 13.7583 numMergedOcc 0
32 mol 277 unq 1 iso 0 dist 8.72101 4.88964 9.54359 13.2017 5.86185 13.6433 numMergedOcc 0
33 mol 277 unq 2 iso 0 dist 8.72101 4.88964 9.54359 10.3346 6.79748 10.469 numMergedOcc 0
34 mol 277 unq 3 iso 0 dist 8.72101 6.76786 5.69112 14.313 7.98956 11.8607 numMergedOcc 0
35 mol 277 unq 4 iso 0 dist 8.72101 6.76786 5.69112 13.2017 5.86185 10.9137 numMergedOcc 0
36 mol 277 unq 5 iso 0 dist 8.72101 6.76786 5.69112 10.3346 6.79748 5.09884 numMergedOcc 0
37 mol 277 unq 6 iso 0 dist 8.75619 6.76786 7.2091 10.3346 6.53598 5.09884 numMergedOcc 0
38 mol 277 unq 7 iso 0 dist 5.11998 14.2115 9.54359 7.31817 7.98956 13.7583 numMergedOcc 0
39 mol 277 unq 8 iso 0 dist 5.11998 14.2115 9.54359 3.91224 5.86185 13.6433 numMergedOcc 0
40 mol 277 unq 9 iso 0 dist 5.11998 14.2115 9.54359 10.8296 6.79748 10.469 numMergedOcc 0
41 mol 277 unq 10 iso 0 dist 5.11998 10.8075 5.69112 7.31817 7.98956 11.8607 numMergedOcc 0
42 mol 277 unq 11 iso 0 dist 5.11998 10.8075 5.69112 3.91224 5.86185 10.9137 numMergedOcc 0
43 mol 277 unq 12 iso 0 dist 5.11998 10.8075 5.69112 10.8296 6.79748 5.09884 numMergedOcc 0
44 mol 277 unq 13 iso 0 dist 5.79925 10.8075 7.2091 10.8296 6.53598 5.09884 numMergedOcc 0
45 mol 277 unq 14 iso 0 dist 8.55906 12.9535 7.2091 8.55356 6.53598 5.09884 numMergedOcc 0
46 mol 277 unq 15 iso 0 dist 5.55523 11.2385 7.2091 10.7151 6.53598 5.09884 numMergedOcc 0
47 mol 281 unq 0 iso 0 dist 9.13909 13.6632 7.33334 9.85344 5.33372 11.0049 numMergedOcc 0
48 mol 281 unq 1 iso 0 dist 9.13909 13.6632 7.33334 9.11195 6.56886 5.19196 numMergedOcc 0
49 mol 281 unq 2 iso 0 dist 6.82918 7.74992 5.50053 13.5758 7.90368 12.8596 numMergedOcc 0
50 mol 281 unq 3 iso 0 dist 6.82918 7.74992 5.50053 7.74065 6.69267 5.19196 numMergedOcc 0
51 mol 281 unq 4 iso 0 dist 4.29351 7.74992 7.33334 3.50686 5.33372 11.0049 numMergedOcc 0
52 mol 281 unq 5 iso 0 dist 4.29351 7.74992 7.33334 7.74065 6.56886 5.19196 numMergedOcc 0
53 mol 287 unq 0 iso 0 dist 7.84189 7.19628 5.30118 9.51119 4.68668 3.65199 numMergedOcc 0
54 mol 287 unq 1 iso 0 dist 7.84189 11.7959 8.98698 9.51119 4.68668 5.70614 numMergedOcc 0
55 mol 288 unq 0 iso 0 dist 7.84189 7.19628 5.30118 9.51119 4.68668 3.65199 numMergedOcc 0
56 mol 288 unq 1 iso 0 dist 7.84189 11.7959 8.98698 9.51119 4.68668 5.70614 numMergedOcc 0
57 mol 289 unq 0 iso 0 dist 7.84189 7.19628 5.30118 9.51119 4.68668 3.65199 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 7.84189 11.7959 8.98698 9.51119 4.68668 5.70614 numMergedOcc 0
