0 mol 17 unq 0 iso 0 dist 6.80314 7.83348 5.16502 4.2802 8.26398 6.66983 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 6.80314 4.2802 8.26398 7.83348 5.16502 6.66983 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.3964 10.0962 7.85986 8.56474 4.30252 6.0925 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 8.3964 8.56474 4.30252 10.0962 7.85986 6.0925 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.8073 10.7407 8.12997 10.8995 6.13153 3.68447 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 6.8073 10.8995 6.13153 10.7407 8.12997 3.68447 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 6.8073 10.7407 8.12997 10.5685 5.7836 11.3632 numMergedOcc 0
7 mol 48 unq 1 iso 1 dist 6.8073 10.5685 5.7836 10.7407 8.12997 11.3632 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 6.8073 10.7407 8.12997 5.44298 7.32996 8.81168 numMergedOcc 0
9 mol 48 unq 2 iso 1 dist 6.8073 5.44298 7.32996 10.7407 8.12997 8.81168 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 6.8073 10.7407 8.12997 4.92775 5.89173 5.91538 numMergedOcc 0
11 mol 48 unq 3 iso 1 dist 6.8073 4.92775 5.89173 10.7407 8.12997 5.91538 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 6.8073 10.8995 6.13153 10.5685 5.7836 8.33924 numMergedOcc 0
13 mol 48 unq 1 iso 1 dist 6.8073 10.5685 5.7836 10.8995 6.13153 8.33924 numMergedOcc 0
14 mol 48 unq 2 iso 0 dist 6.8073 10.8995 6.13153 5.44298 7.32996 8.88086 numMergedOcc 0
15 mol 48 unq 2 iso 1 dist 6.8073 5.44298 7.32996 10.8995 6.13153 8.88086 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 6.8073 10.8995 6.13153 4.92775 5.89173 6.91279 numMergedOcc 0
17 mol 48 unq 3 iso 1 dist 6.8073 4.92775 5.89173 10.8995 6.13153 6.91279 numMergedOcc 0
18 mol 48 unq 2 iso 0 dist 6.8073 10.5685 5.7836 5.44298 7.32996 8.83572 numMergedOcc 0
19 mol 48 unq 2 iso 1 dist 6.8073 5.44298 7.32996 10.5685 5.7836 8.83572 numMergedOcc 0
20 mol 48 unq 3 iso 0 dist 6.8073 10.5685 5.7836 4.92775 5.89173 10.0905 numMergedOcc 0
21 mol 48 unq 3 iso 1 dist 6.8073 4.92775 5.89173 10.5685 5.7836 10.0905 numMergedOcc 0
22 mol 48 unq 3 iso 0 dist 6.8073 5.44298 7.32996 4.92775 5.89173 4.6034 numMergedOcc 0
23 mol 48 unq 3 iso 1 dist 6.8073 4.92775 5.89173 5.44298 7.32996 4.6034 numMergedOcc 0
24 mol 48 unq 4 iso 0 dist 6.42242 10.3657 7.84895 10.4457 5.8541 3.67297 numMergedOcc 0
25 mol 48 unq 4 iso 1 dist 6.42242 10.4457 5.8541 10.3657 7.84895 3.67297 numMergedOcc 0
26 mol 48 unq 5 iso 0 dist 6.42242 10.3657 7.84895 10.1874 5.82264 11.4886 numMergedOcc 0
27 mol 48 unq 5 iso 1 dist 6.42242 10.1874 5.82264 10.3657 7.84895 11.4886 numMergedOcc 0
28 mol 48 unq 6 iso 0 dist 6.42242 10.3657 7.84895 5.39197 7.20729 8.75789 numMergedOcc 0
29 mol 48 unq 6 iso 1 dist 6.42242 5.39197 7.20729 10.3657 7.84895 8.75789 numMergedOcc 0
30 mol 48 unq 7 iso 0 dist 6.42242 10.3657 7.84895 4.89976 5.72703 5.63057 numMergedOcc 0
31 mol 48 unq 7 iso 1 dist 6.42242 4.89976 5.72703 10.3657 7.84895 5.63057 numMergedOcc 0
32 mol 48 unq 5 iso 0 dist 6.42242 10.4457 5.8541 10.1874 5.82264 8.45701 numMergedOcc 0
33 mol 48 unq 5 iso 1 dist 6.42242 10.1874 5.82264 10.4457 5.8541 8.45701 numMergedOcc 0
34 mol 48 unq 6 iso 0 dist 6.42242 10.4457 5.8541 5.39197 7.20729 8.74768 numMergedOcc 0
35 mol 48 unq 6 iso 1 dist 6.42242 5.39197 7.20729 10.4457 5.8541 8.74768 numMergedOcc 0
36 mol 48 unq 7 iso 0 dist 6.42242 10.4457 5.8541 4.89976 5.72703 6.60897 numMergedOcc 0
37 mol 48 unq 7 iso 1 dist 6.42242 4.89976 5.72703 10.4457 5.8541 6.60897 numMergedOcc 0
38 mol 48 unq 6 iso 0 dist 6.42242 10.1874 5.82264 5.39197 7.20729 8.79085 numMergedOcc 0
39 mol 48 unq 6 iso 1 dist 6.42242 5.39197 7.20729 10.1874 5.82264 8.79085 numMergedOcc 0
40 mol 48 unq 7 iso 0 dist 6.42242 10.1874 5.82264 4.89976 5.72703 10.0122 numMergedOcc 0
41 mol 48 unq 7 iso 1 dist 6.42242 4.89976 5.72703 10.1874 5.82264 10.0122 numMergedOcc 0
42 mol 48 unq 7 iso 0 dist 6.42242 5.39197 7.20729 4.89976 5.72703 4.52343 numMergedOcc 0
43 mol 48 unq 7 iso 1 dist 6.42242 4.89976 5.72703 5.39197 7.20729 4.52343 numMergedOcc 0
44 mol 48 unq 8 iso 0 dist 5.60663 11.8742 8.56365 5.44298 7.47783 9.94041 numMergedOcc 0
45 mol 48 unq 8 iso 1 dist 5.60663 5.44298 7.47783 11.8742 8.56365 9.94041 numMergedOcc 0
46 mol 48 unq 9 iso 0 dist 5.60663 11.8742 8.56365 9.10301 8.74151 5.553 numMergedOcc 0
47 mol 48 unq 9 iso 1 dist 5.60663 9.10301 8.74151 11.8742 8.56365 5.553 numMergedOcc 0
48 mol 48 unq 10 iso 0 dist 5.60663 11.8742 8.56365 7.24268 8.69662 8.14415 numMergedOcc 0
49 mol 48 unq 10 iso 1 dist 5.60663 7.24268 8.69662 11.8742 8.56365 8.14415 numMergedOcc 0
50 mol 48 unq 9 iso 0 dist 5.60663 5.44298 7.47783 9.10301 8.74151 6.96103 numMergedOcc 0
51 mol 48 unq 9 iso 1 dist 5.60663 9.10301 8.74151 5.44298 7.47783 6.96103 numMergedOcc 0
52 mol 48 unq 10 iso 0 dist 5.60663 5.44298 7.47783 7.24268 8.69662 4.54874 numMergedOcc 0
53 mol 48 unq 10 iso 1 dist 5.60663 7.24268 8.69662 5.44298 7.47783 4.54874 numMergedOcc 0
54 mol 48 unq 10 iso 0 dist 5.60663 9.10301 8.74151 7.24268 8.69662 3.18526 numMergedOcc 0
55 mol 48 unq 10 iso 1 dist 5.60663 7.24268 8.69662 9.10301 8.74151 3.18526 numMergedOcc 0
56 mol 85 unq 0 iso 0 dist 9.18097 6.90443 8.04853 13.1381 6.46549 8.06192 numMergedOcc 0
57 mol 85 unq 0 iso 1 dist 9.18097 13.1381 6.46549 6.90443 8.04853 8.06192 numMergedOcc 0
58 mol 85 unq 1 iso 0 dist 8.83135 14.6513 8.04853 9.99421 6.46549 8.06192 numMergedOcc 0
59 mol 85 unq 1 iso 1 dist 8.83135 9.99421 6.46549 14.6513 8.04853 8.06192 numMergedOcc 0
60 mol 123 unq 0 iso 0 dist 9.52442 9.9391 9.42762 14.0666 7.30244 8.77423 numMergedOcc 0
61 mol 123 unq 0 iso 1 dist 9.52442 14.0666 7.30244 9.9391 9.42762 8.77423 numMergedOcc 0
62 mol 141 unq 0 iso 0 dist 8.71007 9.65579 6.90583 5.93647 6.75593 10.7858 numMergedOcc 0
63 mol 141 unq 0 iso 1 dist 8.71007 5.93647 6.75593 9.65579 6.90583 10.7858 numMergedOcc 0
64 mol 141 unq 1 iso 0 dist 8.71007 9.65579 6.90583 8.51016 8.83562 13.6003 numMergedOcc 0
65 mol 141 unq 1 iso 1 dist 8.71007 8.51016 8.83562 9.65579 6.90583 13.6003 numMergedOcc 0
66 mol 141 unq 1 iso 0 dist 8.71007 5.93647 6.75593 8.51016 8.83562 3.02458 numMergedOcc 0
67 mol 141 unq 1 iso 1 dist 8.71007 8.51016 8.83562 5.93647 6.75593 3.02458 numMergedOcc 0
68 mol 147 unq 0 iso 0 dist 9.77522 9.03848 9.59327 5.58015 8.51399 3.6066 numMergedOcc 0
69 mol 147 unq 0 iso 1 dist 9.77522 5.58015 8.51399 9.03848 9.59327 3.6066 numMergedOcc 0
70 mol 148 unq 0 iso 0 dist 6.86997 7.34563 9.17462 3.54257 8.74878 10.1972 numMergedOcc 0
71 mol 148 unq 0 iso 1 dist 6.86997 3.54257 8.74878 7.34563 9.17462 10.1972 numMergedOcc 0
72 mol 150 unq 0 iso 0 dist 6.79381 7.33121 9.01668 3.59609 8.74018 10.2556 numMergedOcc 0
73 mol 150 unq 0 iso 1 dist 6.79381 3.59609 8.74018 7.33121 9.01668 10.2556 numMergedOcc 0
74 mol 184 unq 0 iso 0 dist 4.88303 7.551 9.62748 4.75805 5.12964 8.05894 numMergedOcc 0
75 mol 184 unq 0 iso 1 dist 4.88303 4.75805 5.12964 7.551 9.62748 8.05894 numMergedOcc 0
76 mol 205 unq 0 iso 0 dist 6.23057 4.51847 6.81516 13.1148 9.17562 10.1158 numMergedOcc 0
77 mol 205 unq 0 iso 1 dist 6.23057 13.1148 9.17562 4.51847 6.81516 10.1158 numMergedOcc 0
78 mol 244 unq 0 iso 0 dist 9.97458 4.80974 9.30179 13.59 6.10489 11.6206 numMergedOcc 0
79 mol 244 unq 0 iso 1 dist 9.97458 13.59 6.10489 4.80974 9.30179 11.6206 numMergedOcc 0
80 mol 244 unq 1 iso 0 dist 9.97458 4.80974 9.30179 12.146 4.4204 9.66017 numMergedOcc 0
81 mol 244 unq 1 iso 1 dist 9.97458 12.146 4.4204 4.80974 9.30179 9.66017 numMergedOcc 0
82 mol 244 unq 1 iso 0 dist 9.97458 13.59 6.10489 12.146 4.4204 5.86449 numMergedOcc 0
83 mol 244 unq 1 iso 1 dist 9.97458 12.146 4.4204 13.59 6.10489 5.86449 numMergedOcc 0
84 mol 253 unq 0 iso 0 dist 9.29788 12.9301 9.82605 8.8893 9.73723 5.00013 numMergedOcc 0
85 mol 253 unq 0 iso 1 dist 9.29788 8.8893 9.73723 12.9301 9.82605 5.00013 numMergedOcc 0
86 mol 253 unq 1 iso 0 dist 9.50983 16.4827 9.82605 13.3075 9.73723 5.00013 numMergedOcc 0
87 mol 253 unq 1 iso 1 dist 9.50983 13.3075 9.73723 16.4827 9.82605 5.00013 numMergedOcc 0
88 mol 258 unq 0 iso 0 dist 8.51736 6.4179 8.31526 11.4354 7.08328 8.91869 numMergedOcc 0
89 mol 258 unq 0 iso 1 dist 8.51736 11.4354 7.08328 6.4179 8.31526 8.91869 numMergedOcc 0
90 mol 278 unq 0 iso 0 dist 9.73172 14.4747 8.1769 10.0491 7.1656 4.88683 numMergedOcc 0
91 mol 278 unq 0 iso 1 dist 9.73172 10.0491 7.1656 14.4747 8.1769 4.88683 numMergedOcc 0
92 mol 279 unq 0 iso 0 dist 9.24164 11.0658 8.25623 5.67885 8.77098 10.472 numMergedOcc 0
93 mol 279 unq 0 iso 1 dist 9.24164 5.67885 8.77098 11.0658 8.25623 10.472 numMergedOcc 0
94 mol 279 unq 1 iso 0 dist 9.24164 11.0658 8.25623 13.3369 9.78784 9.07772 numMergedOcc 0
95 mol 279 unq 1 iso 1 dist 9.24164 13.3369 9.78784 11.0658 8.25623 9.07772 numMergedOcc 0
96 mol 279 unq 1 iso 0 dist 9.24164 5.67885 8.77098 13.3369 9.78784 8.70414 numMergedOcc 0
97 mol 279 unq 1 iso 1 dist 9.24164 13.3369 9.78784 5.67885 8.77098 8.70414 numMergedOcc 0
