0 mol 17 unq 0 iso 0 dist 6.64199 13.5569 8.26398 13.2523 6.66983 5.16502 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.90155 13.9821 8.26398 11.5708 6.66983 5.16502 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.55284 12.3426 5.7836 18.784 11.3632 8.12997 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.55284 12.3426 5.7836 15.2992 8.33924 6.13153 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.55284 12.3426 5.7836 17.9627 8.83572 7.32996 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 9.55284 12.3426 5.7836 18.1488 10.0905 5.89173 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.36877 11.2238 5.7836 18.3153 11.3632 8.12997 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 7.36877 11.2238 5.7836 15.1057 8.33924 6.13153 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 7.36877 11.2238 5.7836 15.1468 8.83572 7.32996 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 7.36877 11.2238 5.7836 16.4502 10.0905 5.89173 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 9.74553 5.84184 5.72703 11.0069 5.63057 7.84895 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 9.74553 5.84184 5.72703 9.51899 6.60897 5.8541 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 9.74553 5.84184 5.72703 10.3437 10.0122 5.82264 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 9.74553 5.84184 5.72703 12.4931 4.52343 7.20729 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 6.89752 11.0606 5.82264 17.9657 11.4886 7.84895 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 6.89752 11.0606 5.82264 14.7535 8.45701 5.8541 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 6.89752 11.0606 5.82264 14.8083 8.79085 7.20729 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 6.89752 11.0606 5.82264 16.0979 10.0122 5.72703 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 6.89752 8.31475 8.56365 11.7175 9.94041 7.47783 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 6.89752 8.31475 8.56365 6.85843 5.553 8.74151 numMergedOcc 0
20 mol 48 unq 18 iso 0 dist 6.89752 8.31475 8.56365 9.03709 8.14415 8.69662 numMergedOcc 0
21 mol 48 unq 19 iso 0 dist 6.85843 8.31475 8.74151 6.89752 5.553 8.56365 numMergedOcc 0
22 mol 48 unq 20 iso 0 dist 6.85843 8.31475 8.74151 11.7175 6.96103 7.47783 numMergedOcc 0
23 mol 48 unq 21 iso 0 dist 6.85843 8.31475 8.74151 9.03709 3.18526 8.69662 numMergedOcc 0
24 mol 48 unq 22 iso 0 dist 7.94814 12.4972 8.74151 10.6705 5.553 8.56365 numMergedOcc 0
25 mol 48 unq 23 iso 0 dist 7.94814 12.4972 8.74151 13.4464 6.96103 7.47783 numMergedOcc 0
26 mol 48 unq 24 iso 0 dist 7.94814 12.4972 8.74151 9.55632 3.18526 8.69662 numMergedOcc 0
27 mol 48 unq 25 iso 0 dist 9.55632 12.4972 8.69662 10.6705 8.14415 8.56365 numMergedOcc 0
28 mol 48 unq 26 iso 0 dist 9.55632 12.4972 8.69662 13.4464 4.54874 7.47783 numMergedOcc 0
29 mol 48 unq 27 iso 0 dist 9.55632 12.4972 8.69662 7.94814 3.18526 8.74151 numMergedOcc 0
30 mol 79 unq 0 iso 0 dist 6.64921 4.39227 8.84225 11.5693 9.19853 9.99805 numMergedOcc 0
31 mol 79 unq 1 iso 0 dist 6.64921 8.32896 6.72546 15.37 11.179 8.33791 numMergedOcc 0
32 mol 79 unq 2 iso 0 dist 6.64921 8.32896 6.72546 12.9584 7.13643 7.38548 numMergedOcc 0
33 mol 79 unq 3 iso 0 dist 6.64921 8.32896 6.72546 11.5693 9.19853 8.2992 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 8.67342 16.5181 9.13593 8.60062 2.58673 8.25144 numMergedOcc 0
35 mol 85 unq 1 iso 0 dist 8.60062 16.5181 8.25144 8.67342 2.58673 9.13593 numMergedOcc 0
36 mol 85 unq 2 iso 0 dist 5.73739 11.9312 9.13593 5.16225 2.58673 8.25144 numMergedOcc 0
37 mol 85 unq 3 iso 0 dist 5.16225 11.9312 8.25144 5.73739 2.58673 9.13593 numMergedOcc 0
38 mol 135 unq 0 iso 0 dist 8.18584 9.25955 7.02963 17.4266 14.3156 8.72359 numMergedOcc 0
39 mol 135 unq 1 iso 0 dist 9.85803 12.4693 7.02963 21.1856 14.3156 8.72359 numMergedOcc 0
40 mol 148 unq 0 iso 0 dist 9.0735 4.74651 8.74878 13.412 10.1972 9.17462 numMergedOcc 0
41 mol 150 unq 0 iso 0 dist 9.03593 4.75241 8.74018 13.2956 10.2556 9.01668 numMergedOcc 0
42 mol 182 unq 0 iso 0 dist 8.7486 8.99704 9.98182 13.2193 9.21043 9.02127 numMergedOcc 0
43 mol 182 unq 1 iso 0 dist 9.06707 4.49268 9.98182 11.8604 9.21043 9.02127 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 8.35588 9.12063 5.68985 11.1673 3.09727 7.37629 numMergedOcc 0
45 mol 205 unq 0 iso 0 dist 4.93303 4.79372 6.81516 10.1326 10.1158 9.17562 numMergedOcc 0
46 mol 244 unq 0 iso 0 dist 9.45199 4.89551 9.30179 9.07512 11.6206 6.10489 numMergedOcc 0
47 mol 244 unq 1 iso 0 dist 9.45199 4.89551 9.30179 9.12728 9.66017 4.4204 numMergedOcc 0
48 mol 244 unq 2 iso 0 dist 9.07512 4.89551 6.10489 9.45199 11.6206 9.30179 numMergedOcc 0
49 mol 244 unq 3 iso 0 dist 9.07512 4.89551 6.10489 9.12728 5.86449 4.4204 numMergedOcc 0
50 mol 256 unq 0 iso 0 dist 7.44294 10.3756 9.23909 12.4005 10.8932 6.63831 numMergedOcc 0
51 mol 258 unq 0 iso 0 dist 6.90511 9.25159 7.08328 14.9492 8.91869 8.31526 numMergedOcc 0
52 mol 281 unq 0 iso 0 dist 9.39268 13.4239 6.18742 12.8134 3.77058 6.8089 numMergedOcc 0
53 mol 281 unq 1 iso 0 dist 9.06888 13.4274 6.18742 6.62682 3.77058 6.8089 numMergedOcc 0
54 mol 281 unq 2 iso 0 dist 6.62682 13.4274 6.8089 9.06888 3.77058 6.18742 numMergedOcc 0
