0 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 13.4836 8.60554 8.52463 12.3994 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.20058 14.9411 8.38394 16.6906 8.86116 6.44287 13.4836 8.60554 12.3994 8.52463 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 11.9824 8.44664 10.971 5.30734 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 8.20058 14.9411 8.38394 16.6906 8.86116 6.44287 11.9824 8.44664 5.30734 10.971 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 9.04355 9.44691 13.4893 12.505 numMergedOcc 0
5 mol 24 unq 2 iso 1 dist 8.20058 14.9411 8.38394 16.6906 8.86116 6.44287 9.04355 9.44691 12.505 13.4893 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 11.5983 6.03987 4.51512 12.1434 8.6653 5.64303 5.82503 numMergedOcc 0
7 mol 25 unq 0 iso 1 dist 6.23095 11.5983 6.03987 10.747 7.31767 4.51512 12.1434 8.6653 5.82503 5.64303 numMergedOcc 0
8 mol 52 unq 0 iso 0 dist 5.26018 12.8491 9.80098 10.3287 7.34143 9.162 5.09324 6.31696 11.6682 6.66056 numMergedOcc 0
9 mol 52 unq 0 iso 1 dist 5.26018 10.3287 7.34143 12.8491 9.80098 9.162 5.09324 6.31696 6.66056 11.6682 numMergedOcc 0
10 mol 52 unq 1 iso 0 dist 7.1203 5.92851 9.80098 6.03647 7.34143 9.162 10.4823 6.31696 11.6682 6.66056 numMergedOcc 0
11 mol 52 unq 1 iso 1 dist 7.1203 6.03647 7.34143 5.92851 9.80098 9.162 10.4823 6.31696 6.66056 11.6682 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.0607 9.96708 10.7394 15.1138 9.27838 15.434 11.6378 numMergedOcc 0
13 mol 72 unq 0 iso 1 dist 6.68311 15.0607 9.96708 8.1124 8.8178 10.7394 15.1138 9.27838 11.6378 15.434 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 4.72129 6.48948 9.51923 11.0132 6.65501 4.4057 7.42446 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 8.05602 4.72129 6.48948 12.0507 5.08437 9.51923 11.0132 6.65501 7.42446 4.4057 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 12.0339 6.10456 8.40073 11.0132 6.65501 4.4057 9.67482 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 8.05602 12.0339 6.10456 12.0507 5.08437 8.40073 11.0132 6.65501 9.67482 4.4057 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 12.0339 6.10456 9.42358 11.0132 6.65501 7.42446 9.67482 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 8.05602 12.0339 6.10456 4.72129 6.48948 9.42358 11.0132 6.65501 9.67482 7.42446 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 12.0555 7.47343 5.33144 5.48646 7.38135 7.11701 11.2312 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 5.48646 7.38135 11.2312 7.11701 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 12.7188 8.86688 9.71151 5.48646 7.38135 7.11701 7.79768 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 8.92577 12.7188 8.86688 6.89293 6.45675 9.71151 5.48646 7.38135 7.79768 7.11701 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 5.48646 7.38135 11.2312 7.79768 numMergedOcc 0
25 mol 100 unq 1 iso 1 dist 8.92577 12.7188 8.86688 12.0555 7.47343 10.1407 5.48646 7.38135 7.79768 11.2312 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 9.56324 15.1093 6.45675 16.8752 7.47343 5.33144 11.0196 7.38135 7.11701 11.2312 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 11.0196 7.38135 11.2312 7.11701 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 9.56324 15.1093 6.45675 13.0353 8.86688 9.71151 11.0196 7.38135 7.11701 7.79768 numMergedOcc 0
29 mol 100 unq 3 iso 1 dist 9.56324 13.0353 8.86688 15.1093 6.45675 9.71151 11.0196 7.38135 7.79768 7.11701 numMergedOcc 0
30 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 11.0196 7.38135 11.2312 7.79768 numMergedOcc 0
31 mol 100 unq 3 iso 1 dist 9.56324 13.0353 8.86688 16.8752 7.47343 10.1407 11.0196 7.38135 7.79768 11.2312 numMergedOcc 0
32 mol 100 unq 4 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 10.838 8.30845 12.2861 5.80144 numMergedOcc 0
33 mol 100 unq 4 iso 1 dist 5.70279 5.85449 6.65086 5.92158 7.47343 8.8807 10.838 8.30845 5.80144 12.2861 numMergedOcc 0
34 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 11.4018 8.76378 15.5385 12.3577 numMergedOcc 0
35 mol 100 unq 5 iso 1 dist 5.70279 5.85449 6.65086 5.92158 7.47343 8.8807 11.4018 8.76378 12.3577 15.5385 numMergedOcc 0
36 mol 100 unq 6 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 10.838 8.30845 12.2861 10.0456 numMergedOcc 0
37 mol 100 unq 6 iso 1 dist 5.70279 7.68675 6.56369 5.92158 7.47343 12.6515 10.838 8.30845 10.0456 12.2861 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 11.4018 8.76378 15.5385 4.97045 numMergedOcc 0
39 mol 100 unq 7 iso 1 dist 5.70279 7.68675 6.56369 5.92158 7.47343 12.6515 11.4018 8.76378 4.97045 15.5385 numMergedOcc 0
40 mol 100 unq 8 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 10.838 8.30845 12.2861 6.70236 numMergedOcc 0
41 mol 100 unq 8 iso 1 dist 5.70279 9.53223 9.30209 5.92158 7.47343 13.887 10.838 8.30845 6.70236 12.2861 numMergedOcc 0
42 mol 100 unq 9 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 11.4018 8.76378 15.5385 10.7791 numMergedOcc 0
43 mol 100 unq 9 iso 1 dist 5.70279 9.53223 9.30209 5.92158 7.47343 13.887 11.4018 8.76378 10.7791 15.5385 numMergedOcc 0
44 mol 100 unq 6 iso 0 dist 5.70279 5.85449 6.65086 7.68675 6.56369 7.80879 10.838 8.30845 5.80144 10.0456 numMergedOcc 0
45 mol 100 unq 6 iso 1 dist 5.70279 7.68675 6.56369 5.85449 6.65086 7.80879 10.838 8.30845 10.0456 5.80144 numMergedOcc 0
46 mol 100 unq 7 iso 0 dist 5.70279 5.85449 6.65086 7.68675 6.56369 7.80879 11.4018 8.76378 12.3577 4.97045 numMergedOcc 0
47 mol 100 unq 7 iso 1 dist 5.70279 7.68675 6.56369 5.85449 6.65086 7.80879 11.4018 8.76378 4.97045 12.3577 numMergedOcc 0
48 mol 100 unq 8 iso 0 dist 5.70279 5.85449 6.65086 9.53223 9.30209 5.38414 10.838 8.30845 5.80144 6.70236 numMergedOcc 0
49 mol 100 unq 8 iso 1 dist 5.70279 9.53223 9.30209 5.85449 6.65086 5.38414 10.838 8.30845 6.70236 5.80144 numMergedOcc 0
50 mol 100 unq 9 iso 0 dist 5.70279 5.85449 6.65086 9.53223 9.30209 5.38414 11.4018 8.76378 12.3577 10.7791 numMergedOcc 0
51 mol 100 unq 9 iso 1 dist 5.70279 9.53223 9.30209 5.85449 6.65086 5.38414 11.4018 8.76378 10.7791 12.3577 numMergedOcc 0
52 mol 100 unq 8 iso 0 dist 5.70279 7.68675 6.56369 9.53223 9.30209 6.39938 10.838 8.30845 10.0456 6.70236 numMergedOcc 0
53 mol 100 unq 8 iso 1 dist 5.70279 9.53223 9.30209 7.68675 6.56369 6.39938 10.838 8.30845 6.70236 10.0456 numMergedOcc 0
54 mol 100 unq 9 iso 0 dist 5.70279 7.68675 6.56369 9.53223 9.30209 6.39938 11.4018 8.76378 4.97045 10.7791 numMergedOcc 0
55 mol 100 unq 9 iso 1 dist 5.70279 9.53223 9.30209 7.68675 6.56369 6.39938 11.4018 8.76378 10.7791 4.97045 numMergedOcc 0
56 mol 129 unq 0 iso 0 dist 6.23966 5.16275 9.61051 6.65856 5.83384 9.05135 6.47522 6.28565 6.30169 4.55551 numMergedOcc 0
57 mol 129 unq 0 iso 1 dist 6.23966 6.65856 5.83384 5.16275 9.61051 9.05135 6.47522 6.28565 4.55551 6.30169 numMergedOcc 0
58 mol 129 unq 1 iso 0 dist 6.23966 5.16275 9.61051 6.65856 5.83384 9.05135 5.85167 7.58957 5.68211 10.5488 numMergedOcc 0
59 mol 129 unq 1 iso 1 dist 6.23966 6.65856 5.83384 5.16275 9.61051 9.05135 5.85167 7.58957 10.5488 5.68211 numMergedOcc 0
60 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 7.33132 8.22656 6.65743 13.2968 7.71248 4.34568 10.6025 numMergedOcc 0
61 mol 133 unq 0 iso 1 dist 9.79004 7.33132 8.22656 10.0277 7.24514 6.65743 13.2968 7.71248 10.6025 4.34568 numMergedOcc 0
62 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 6.50005 6.49416 5.00526 12.4426 7.80532 7.41674 9.87376 numMergedOcc 0
63 mol 134 unq 0 iso 1 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 12.4426 7.80532 9.87376 7.41674 numMergedOcc 0
64 mol 156 unq 0 iso 0 dist 7.11647 5.59399 7.66148 5.66289 8.94056 10.1658 5.02458 7.90267 6.03934 5.4555 numMergedOcc 0
65 mol 156 unq 0 iso 1 dist 7.11647 5.66289 8.94056 5.59399 7.66148 10.1658 5.02458 7.90267 5.4555 6.03934 numMergedOcc 0
66 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 14.0828 8.03334 13.2049 6.56225 6.2479 6.6251 7.81713 numMergedOcc 0
67 mol 181 unq 0 iso 1 dist 8.90247 14.0828 8.03334 5.114 9.1374 13.2049 6.56225 6.2479 7.81713 6.6251 numMergedOcc 0
68 mol 222 unq 0 iso 0 dist 5.47561 10.6375 8.01589 5.39098 7.7699 10.4579 10.3328 7.67576 10.3151 7.81022 numMergedOcc 0
69 mol 222 unq 0 iso 1 dist 5.47561 5.39098 7.7699 10.6375 8.01589 10.4579 10.3328 7.67576 7.81022 10.3151 numMergedOcc 0
70 mol 222 unq 1 iso 0 dist 5.47561 10.6375 8.01589 5.39098 7.7699 10.4579 15.0445 9.82371 8.52017 15.7504 numMergedOcc 0
71 mol 222 unq 1 iso 1 dist 5.47561 5.39098 7.7699 10.6375 8.01589 10.4579 15.0445 9.82371 15.7504 8.52017 numMergedOcc 0
72 mol 222 unq 2 iso 0 dist 5.47561 10.6375 8.01589 5.60111 7.21333 13.3522 10.3328 7.67576 10.3151 7.75656 numMergedOcc 0
73 mol 222 unq 2 iso 1 dist 5.47561 5.60111 7.21333 10.6375 8.01589 13.3522 10.3328 7.67576 7.75656 10.3151 numMergedOcc 0
74 mol 222 unq 3 iso 0 dist 5.47561 10.6375 8.01589 5.60111 7.21333 13.3522 15.0445 9.82371 8.52017 16.0949 numMergedOcc 0
75 mol 222 unq 3 iso 1 dist 5.47561 5.60111 7.21333 10.6375 8.01589 13.3522 15.0445 9.82371 16.0949 8.52017 numMergedOcc 0
76 mol 222 unq 2 iso 0 dist 5.47561 5.39098 7.7699 5.60111 7.21333 5.24516 10.3328 7.67576 7.81022 7.75656 numMergedOcc 0
77 mol 222 unq 2 iso 1 dist 5.47561 5.60111 7.21333 5.39098 7.7699 5.24516 10.3328 7.67576 7.75656 7.81022 numMergedOcc 0
78 mol 222 unq 3 iso 0 dist 5.47561 5.39098 7.7699 5.60111 7.21333 5.24516 15.0445 9.82371 15.7504 16.0949 numMergedOcc 0
79 mol 222 unq 3 iso 1 dist 5.47561 5.60111 7.21333 5.39098 7.7699 5.24516 15.0445 9.82371 16.0949 15.7504 numMergedOcc 0
80 mol 261 unq 0 iso 0 dist 8.17205 10.3933 8.02547 9.27298 8.43057 10.0727 5.51738 8.43974 5.91643 8.29908 numMergedOcc 0
81 mol 261 unq 0 iso 1 dist 8.17205 9.27298 8.43057 10.3933 8.02547 10.0727 5.51738 8.43974 8.29908 5.91643 numMergedOcc 0
82 mol 261 unq 1 iso 0 dist 8.17205 10.3933 8.02547 7.8624 6.05727 5.51688 5.51738 8.43974 5.91643 5.02383 numMergedOcc 0
83 mol 261 unq 1 iso 1 dist 8.17205 7.8624 6.05727 10.3933 8.02547 5.51688 5.51738 8.43974 5.02383 5.91643 numMergedOcc 0
84 mol 261 unq 1 iso 0 dist 8.17205 9.27298 8.43057 7.8624 6.05727 4.63549 5.51738 8.43974 8.29908 5.02383 numMergedOcc 0
85 mol 261 unq 1 iso 1 dist 8.17205 7.8624 6.05727 9.27298 8.43057 4.63549 5.51738 8.43974 5.02383 8.29908 numMergedOcc 0
