0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 5.01101 6.42835 11.0298 5.94982 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.05803 6.31718 6.92781 6.93532 5.30082 10.4366 4.65873 6.57331 8.43054 10.0132 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.31718 5.05803 6.92781 6.93532 10.4366 5.30082 4.65873 8.43054 6.57331 10.0132 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 5.11636 7.95042 10.9819 5.80953 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 5.11636 7.95042 10.9819 12.8213 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 5.11636 7.95042 10.9819 11.7489 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 11.6226 8.09311 16.0162 19.932 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 13.1949 9.05357 16.8554 17.7407 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 4.82629 6.6219 11.0181 11.3231 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 10.1698 5.68215 17.003 6.61696 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 4.82629 6.6219 11.0181 11.3777 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 10.1698 5.68215 17.003 16.1924 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 4.82629 6.6219 11.0181 13.0711 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 10.1698 5.68215 17.003 15.3807 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 6.28159 8.87744 10.4135 12.3034 numMergedOcc 0
15 mol 24 unq 12 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 5.50396 7.27472 9.33482 9.84204 numMergedOcc 0
16 mol 24 unq 13 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 6.28159 8.87744 10.4135 4.5711 numMergedOcc 0
17 mol 24 unq 14 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 5.50396 7.27472 9.33482 4.44526 numMergedOcc 0
18 mol 24 unq 15 iso 0 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 6.28159 8.87744 10.4135 12.6707 numMergedOcc 0
19 mol 24 unq 16 iso 0 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 5.50396 7.27472 9.33482 9.586 numMergedOcc 0
20 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 8.6653 5.82503 5.64303 4.77954 7.99919 11.0249 10.4755 numMergedOcc 0
21 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 8.95682 6.18002 8.38399 5.41726 6.6263 6.75943 10.3764 numMergedOcc 0
22 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 8.95682 8.38399 6.18002 5.41726 6.75943 6.6263 10.3764 numMergedOcc 0
23 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 7.21955 7.09066 7.12541 5.61579 5.38524 8.69057 10.4354 numMergedOcc 0
24 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 7.21955 7.09066 5.74871 5.61579 5.38524 13.1897 10.4354 numMergedOcc 0
25 mol 58 unq 2 iso 0 dist 7.32874 6.81627 5.47421 7.21955 7.12541 7.09066 5.61579 8.69057 5.38524 10.4354 numMergedOcc 0
26 mol 58 unq 3 iso 0 dist 7.32874 9.55426 5.90225 7.21955 7.12541 5.74871 5.61579 8.69057 13.1897 10.4354 numMergedOcc 0
27 mol 58 unq 4 iso 0 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 9.87158 9.22598 13.3281 9.01564 numMergedOcc 0
28 mol 58 unq 5 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 9.87158 9.22598 8.96727 9.01564 numMergedOcc 0
29 mol 58 unq 6 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 9.87158 8.96727 13.3281 9.01564 numMergedOcc 0
30 mol 58 unq 7 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.86526 8.01308 11.5155 7.11065 numMergedOcc 0
31 mol 58 unq 8 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 9.87158 8.96727 9.22598 9.01564 numMergedOcc 0
32 mol 58 unq 9 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.86526 8.01308 9.55996 7.11065 numMergedOcc 0
33 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 5.69391 9.55118 13.6019 7.58875 numMergedOcc 0
34 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 9.27838 11.6378 15.434 13.4212 9.10345 18.0706 14.0067 numMergedOcc 0
35 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 5.70116 9.73086 7.4369 6.14542 numMergedOcc 0
36 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 5.70116 9.73086 12.8207 6.14542 numMergedOcc 0
37 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 6.20232 8.68662 12.2276 8.96616 numMergedOcc 0
38 mol 73 unq 3 iso 0 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 5.70116 7.4369 9.73086 6.14542 numMergedOcc 0
39 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 6.20232 8.68662 13.8931 8.96616 numMergedOcc 0
40 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 5.70116 7.4369 12.8207 6.14542 numMergedOcc 0
41 mol 73 unq 6 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 11.2069 5.5087 13.3207 14.6027 numMergedOcc 0
42 mol 73 unq 7 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 10.6713 6.08682 14.498 13.8591 numMergedOcc 0
43 mol 73 unq 8 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 11.2069 5.5087 13.8368 14.6027 numMergedOcc 0
44 mol 73 unq 9 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 10.6713 6.08682 14.5999 13.8591 numMergedOcc 0
45 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.91313 17.5889 13.3881 4.3481 7.06939 12.4681 12.7637 numMergedOcc 0
46 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 8.16392 10.8304 5.90097 4.3481 7.06939 12.4681 11.1106 numMergedOcc 0
47 mol 92 unq 2 iso 0 dist 9.64443 9.33898 13.1316 8.91313 13.3881 17.5889 5.31547 9.36001 10.9241 12.273 numMergedOcc 0
48 mol 92 unq 3 iso 0 dist 9.64443 9.33898 13.1316 8.16392 5.90097 10.8304 5.31547 9.36001 10.9241 10.9647 numMergedOcc 0
49 mol 92 unq 4 iso 0 dist 7.4729 6.82344 8.95922 6.95572 9.50382 7.56363 4.46885 8.3773 11.1432 9.92987 numMergedOcc 0
50 mol 92 unq 5 iso 0 dist 7.4729 6.82344 8.95922 7.38677 12.7565 5.91004 4.46885 8.3773 11.1432 11.4716 numMergedOcc 0
51 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 11.3215 9.3948 19.7448 16.0499 numMergedOcc 0
52 mol 95 unq 1 iso 0 dist 8.03644 9.03572 16.6055 9.49454 11.4333 13.3662 5.06946 9.74607 11.97 12.4483 numMergedOcc 0
53 mol 95 unq 2 iso 0 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 11.3215 9.3948 19.9408 16.0499 numMergedOcc 0
54 mol 95 unq 3 iso 0 dist 8.03644 8.83255 13.8105 9.49454 11.4333 12.0666 5.06946 9.74607 13.5721 12.4483 numMergedOcc 0
55 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 3.9764 5.10496 5.92242 4.62494 numMergedOcc 0
56 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 3.9764 5.10496 5.2571 4.62494 numMergedOcc 0
57 mol 98 unq 2 iso 0 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 3.9764 5.92242 5.10496 4.62494 numMergedOcc 0
58 mol 98 unq 3 iso 0 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 7.03983 7.02507 9.89095 9.84743 numMergedOcc 0
59 mol 98 unq 4 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 3.9764 5.92242 5.2571 4.62494 numMergedOcc 0
60 mol 98 unq 5 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 7.03983 7.02507 12.7417 9.84743 numMergedOcc 0
61 mol 98 unq 6 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 10.4782 7.54889 9.81956 8.46823 numMergedOcc 0
62 mol 98 unq 7 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 3.9764 5.2571 5.10496 4.62494 numMergedOcc 0
63 mol 98 unq 8 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 10.4782 7.54889 10.8223 8.46823 numMergedOcc 0
64 mol 98 unq 9 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 3.9764 5.2571 5.92242 4.62494 numMergedOcc 0
65 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 7.01812 5.80144 8.4128 4.03277 8.91882 10.5432 6.59691 numMergedOcc 0
66 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 4.03277 8.91882 11.5088 6.59691 numMergedOcc 0
67 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.9143 7.82475 11.9928 13.9449 numMergedOcc 0
68 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 5.47563 5.35782 9.94341 13.2383 numMergedOcc 0
69 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 5.9143 7.82475 11.9928 10.8812 numMergedOcc 0
70 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 5.47563 5.35782 9.94341 11.4348 numMergedOcc 0
71 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.9143 7.82475 10.694 13.9449 numMergedOcc 0
72 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 5.47563 5.35782 9.82522 13.2383 numMergedOcc 0
73 mol 100 unq 8 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 5.9143 7.82475 10.694 10.8812 numMergedOcc 0
74 mol 100 unq 9 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 5.47563 5.35782 9.82522 11.4348 numMergedOcc 0
75 mol 100 unq 10 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.9143 7.82475 14.966 13.9449 numMergedOcc 0
76 mol 100 unq 11 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 5.47563 5.35782 13.4844 13.2383 numMergedOcc 0
77 mol 100 unq 12 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 5.9143 7.82475 14.966 10.8812 numMergedOcc 0
78 mol 100 unq 13 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 5.47563 5.35782 13.4844 11.4348 numMergedOcc 0
79 mol 100 unq 14 iso 0 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 6.23008 8.91882 9.76432 6.59691 numMergedOcc 0
80 mol 100 unq 15 iso 0 dist 6.65086 7.47343 8.8807 8.76378 12.3577 15.5385 6.23008 8.91882 9.76432 13.2391 numMergedOcc 0
81 mol 100 unq 16 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 6.23008 8.91882 11.5088 6.59691 numMergedOcc 0
82 mol 100 unq 17 iso 0 dist 6.65086 6.56369 7.80879 8.76378 12.3577 4.97045 6.23008 8.91882 11.5088 13.2391 numMergedOcc 0
83 mol 100 unq 18 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 6.23008 8.91882 11.6812 6.59691 numMergedOcc 0
84 mol 100 unq 19 iso 0 dist 6.65086 9.30209 5.38414 8.76378 12.3577 10.7791 6.23008 8.91882 11.6812 13.2391 numMergedOcc 0
85 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 6.28565 4.55551 6.30169 9.00231 5.58833 14.5521 9.8591 numMergedOcc 0
86 mol 129 unq 1 iso 0 dist 5.83384 9.61051 9.05135 7.58957 10.5488 5.68211 9.00231 5.58833 14.5521 15.5412 numMergedOcc 0
87 mol 131 unq 0 iso 0 dist 8.40312 7.12972 5.55373 9.90168 7.7567 8.23791 3.98662 9.27976 10.0551 10.0568 numMergedOcc 0
88 mol 131 unq 1 iso 0 dist 8.40312 6.85062 10.7062 9.90168 7.7567 13.7237 3.98662 9.27976 10.7579 10.0568 numMergedOcc 0
89 mol 133 unq 0 iso 0 dist 8.22656 7.24514 6.65743 7.71248 10.6025 4.34568 6.9945 7.22643 10.4642 13.0475 numMergedOcc 0
90 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 8.06642 7.21868 7.93372 9.0176 numMergedOcc 0
91 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 8.06642 7.21868 11.988 9.0176 numMergedOcc 0
92 mol 134 unq 2 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 6.95573 9.33924 13.9752 12.2587 numMergedOcc 0
93 mol 134 unq 3 iso 0 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 8.06642 7.93372 7.21868 9.0176 numMergedOcc 0
94 mol 134 unq 4 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 6.95573 9.33924 9.55584 12.2587 numMergedOcc 0
95 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 8.06642 7.93372 11.988 9.0176 numMergedOcc 0
96 mol 134 unq 6 iso 0 dist 6.49416 6.54501 5.00526 7.80532 9.87376 7.41674 12.3479 9.33094 11.2896 10.1824 numMergedOcc 0
97 mol 134 unq 7 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 4.00092 7.21868 7.93372 9.0176 numMergedOcc 0
98 mol 134 unq 8 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 10.2026 9.33924 13.9752 12.2587 numMergedOcc 0
99 mol 134 unq 9 iso 0 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 4.00092 7.93372 7.21868 9.0176 numMergedOcc 0
100 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 8.90963 8.91338 9.81073 12.9532 9.76212 13.2783 17.8171 numMergedOcc 0
101 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 8.90963 8.91338 9.34211 12.9532 9.76212 18.2853 17.8171 numMergedOcc 0
102 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 9.53265 9.78634 12.8149 15.7529 numMergedOcc 0
103 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 6.35474 5.64942 6.97962 13.3256 numMergedOcc 0
104 mol 192 unq 2 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 5.25965 7.43054 6.79229 13.7172 numMergedOcc 0
105 mol 192 unq 3 iso 0 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 6.35474 6.97962 5.64942 13.3256 numMergedOcc 0
106 mol 192 unq 4 iso 0 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 5.25965 6.79229 7.43054 13.7172 numMergedOcc 0
107 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 7.67576 7.75656 10.3151 6.84862 5.56538 14.4477 8.43195 numMergedOcc 0
108 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 7.67576 7.75656 10.3151 9.53117 7.48954 16.3082 8.23406 numMergedOcc 0
109 mol 222 unq 2 iso 0 dist 7.21333 8.01589 13.3522 9.82371 16.0949 8.52017 6.84862 5.56538 14.4477 14.0832 numMergedOcc 0
110 mol 222 unq 3 iso 0 dist 7.21333 8.01589 13.3522 9.82371 16.0949 8.52017 9.53117 7.48954 16.3082 14.9425 numMergedOcc 0
111 mol 222 unq 4 iso 0 dist 7.21333 7.7699 5.24516 7.67576 7.75656 7.81022 6.84862 5.56538 10.0233 8.43195 numMergedOcc 0
112 mol 222 unq 5 iso 0 dist 7.21333 7.7699 5.24516 7.67576 7.75656 7.81022 9.53117 7.48954 11.839 8.23406 numMergedOcc 0
113 mol 222 unq 6 iso 0 dist 7.21333 7.7699 5.24516 9.82371 16.0949 15.7504 6.84862 5.56538 10.0233 14.0832 numMergedOcc 0
114 mol 222 unq 7 iso 0 dist 7.21333 7.7699 5.24516 9.82371 16.0949 15.7504 9.53117 7.48954 11.839 14.9425 numMergedOcc 0
115 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 9.51597 12.4692 4.98993 5.13732 8.08349 11.2501 10.7847 numMergedOcc 0
116 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 7.43071 6.35849 6.00424 5.0317 5.23634 10.7855 9.18728 numMergedOcc 0
117 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 5.41321 10.9607 10.7656 5.0317 5.23634 10.7855 8.91971 numMergedOcc 0
118 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 5.0317 5.23634 6.91318 9.18728 numMergedOcc 0
119 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 5.41321 10.9607 9.72615 5.0317 5.23634 6.91318 8.91971 numMergedOcc 0
120 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 7.43071 6.35849 9.76735 5.0317 5.23634 11.2661 9.18728 numMergedOcc 0
121 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 5.41321 10.9607 5.10635 5.0317 5.23634 11.2661 8.91971 numMergedOcc 0
122 mol 227 unq 6 iso 0 dist 7.22101 7.55216 12.4689 7.43071 6.35849 9.32448 5.0317 5.23634 12.3663 9.18728 numMergedOcc 0
123 mol 227 unq 7 iso 0 dist 7.22101 7.55216 12.4689 5.41321 10.9607 6.48027 5.0317 5.23634 12.3663 8.91971 numMergedOcc 0
124 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.43071 10.204 6.00424 5.0317 6.91318 10.7855 9.18728 numMergedOcc 0
125 mol 227 unq 9 iso 0 dist 8.65997 9.34734 7.60506 5.41321 9.72615 10.7656 5.0317 6.91318 10.7855 8.91971 numMergedOcc 0
126 mol 227 unq 10 iso 0 dist 8.65997 7.22101 5.22356 7.43071 10.204 6.35849 5.0317 6.91318 5.23634 9.18728 numMergedOcc 0
127 mol 227 unq 11 iso 0 dist 8.65997 7.22101 5.22356 5.41321 9.72615 10.9607 5.0317 6.91318 5.23634 8.91971 numMergedOcc 0
128 mol 227 unq 12 iso 0 dist 8.65997 7.56888 9.70012 7.43071 10.204 9.76735 5.0317 6.91318 11.2661 9.18728 numMergedOcc 0
129 mol 227 unq 13 iso 0 dist 8.65997 7.56888 9.70012 5.41321 9.72615 5.10635 5.0317 6.91318 11.2661 8.91971 numMergedOcc 0
130 mol 227 unq 14 iso 0 dist 8.65997 7.55216 12.9332 7.43071 10.204 9.32448 5.0317 6.91318 12.3663 9.18728 numMergedOcc 0
131 mol 227 unq 15 iso 0 dist 8.65997 7.55216 12.9332 5.41321 9.72615 6.48027 5.0317 6.91318 12.3663 8.91971 numMergedOcc 0
132 mol 259 unq 0 iso 0 dist 8.13497 7.88519 4.69778 7.98231 8.41846 8.81835 8.8603 9.07743 7.66153 14.6679 numMergedOcc 0
133 mol 259 unq 1 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 7.20604 9.63573 12.8229 11.547 numMergedOcc 0
134 mol 259 unq 2 iso 0 dist 7.88519 8.13497 4.69778 7.98231 8.81835 8.41846 8.8603 7.66153 9.07743 14.6679 numMergedOcc 0
