0 mol 7 unq 0 iso 0 dist 9.60499 6.02702 8.43473 6.58469 14.3576 8.60435 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 8.72114 13.8829 16.4405 22.1274 8.60435 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 8.53529 4.36226 8.79272 11.2076 7.27018 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 9.62879 7.18019 4.36226 7.17012 11.2076 7.27018 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 11.0722 8.83269 8.076 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 8.57077 9.62394 9.5997 14.814 15.5119 6.32226 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 8.4674 6.41575 4.64838 5.18512 10.1882 6.39966 numMergedOcc 0
7 mol 19 unq 1 iso 0 dist 4.54938 6.41575 4.97119 5.18512 6.92532 6.39966 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 7.82074 6.41575 6.01808 5.18512 6.36455 6.39966 numMergedOcc 0
9 mol 19 unq 3 iso 0 dist 4.51865 6.41423 4.64838 9.47529 10.1882 6.39966 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 6.864 6.41423 4.97119 9.47529 6.92532 6.39966 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 6.00575 6.60423 9.69752 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 12.0003 13.0257 4.90592 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 6.00575 6.60423 9.36461 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 6.86014 9.41441 6.66749 11.1124 11.1214 6.2004 numMergedOcc 0
15 mol 24 unq 4 iso 0 dist 8.86116 8.60554 8.52463 11.2106 13.0257 4.90592 numMergedOcc 0
16 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 5.97304 6.60423 9.36461 numMergedOcc 0
17 mol 24 unq 6 iso 0 dist 8.86116 9.44691 13.4893 11.2106 13.0257 8.16324 numMergedOcc 0
18 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 11.1124 18.2639 6.2004 numMergedOcc 0
19 mol 24 unq 8 iso 0 dist 8.38394 8.60554 12.3994 11.2106 15.7639 4.90592 numMergedOcc 0
20 mol 24 unq 9 iso 0 dist 8.38394 8.60554 12.3994 5.97304 9.0934 9.36461 numMergedOcc 0
21 mol 24 unq 10 iso 0 dist 8.38394 9.44691 12.505 11.2106 15.7639 8.16324 numMergedOcc 0
22 mol 24 unq 11 iso 0 dist 5.54419 8.4051 5.11617 4.33963 4.93188 4.90592 numMergedOcc 0
23 mol 24 unq 12 iso 0 dist 5.54419 8.4051 5.11617 17.4067 14.156 9.36461 numMergedOcc 0
24 mol 24 unq 13 iso 0 dist 5.54419 8.75662 10.8238 4.33963 4.93188 8.16324 numMergedOcc 0
25 mol 24 unq 14 iso 0 dist 5.54419 6.73939 12.176 10.2913 15.5937 6.2004 numMergedOcc 0
26 mol 24 unq 15 iso 0 dist 7.36323 8.4051 13.2229 4.33963 9.24958 4.90592 numMergedOcc 0
27 mol 24 unq 16 iso 0 dist 7.36323 8.4051 13.2229 17.4067 20.2475 9.36461 numMergedOcc 0
28 mol 24 unq 17 iso 0 dist 7.36323 8.75662 6.7828 4.33963 9.24958 8.16324 numMergedOcc 0
29 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 10.4524 14.62 6.62229 numMergedOcc 0
30 mol 58 unq 1 iso 0 dist 6.62496 8.80614 9.95364 10.4524 14.6584 6.62229 numMergedOcc 0
31 mol 58 unq 2 iso 0 dist 6.35756 8.80614 5.49591 10.4524 10.9864 6.62229 numMergedOcc 0
32 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 8.26458 7.04044 6.48232 numMergedOcc 0
33 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 8.26458 8.73253 6.48232 numMergedOcc 0
34 mol 73 unq 2 iso 0 dist 8.70481 9.24757 15.3808 8.26458 10.3244 6.48232 numMergedOcc 0
35 mol 75 unq 0 iso 0 dist 7.79912 9.81166 11.4997 5.36954 11.1537 7.6433 numMergedOcc 0
36 mol 85 unq 0 iso 0 dist 7.97049 9.82915 9.29301 6.37974 7.1589 8.70863 numMergedOcc 0
37 mol 85 unq 1 iso 0 dist 7.47541 9.82915 13.5116 6.37974 11.2808 8.70863 numMergedOcc 0
38 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 7.32662 7.26086 8.43352 numMergedOcc 0
39 mol 98 unq 1 iso 0 dist 6.10456 4.47349 7.06961 6.934 7.26086 8.43352 numMergedOcc 0
40 mol 114 unq 0 iso 0 dist 7.5732 6.84011 7.436 11.177 15.5985 9.17466 numMergedOcc 0
41 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 3.78311 7.77116 8.8562 numMergedOcc 0
42 mol 119 unq 1 iso 0 dist 8.73993 9.23858 9.89358 3.78311 7.77116 7.91683 numMergedOcc 0
43 mol 119 unq 2 iso 0 dist 9.87172 9.11344 10.9441 4.99056 13.1741 8.8562 numMergedOcc 0
44 mol 119 unq 3 iso 0 dist 6.18601 8.00003 10.4376 5.75886 9.66471 7.12072 numMergedOcc 0
45 mol 126 unq 0 iso 0 dist 6.06638 6.30546 6.0268 5.5703 9.46588 5.94233 numMergedOcc 0
46 mol 129 unq 0 iso 0 dist 9.61051 6.28565 6.30169 8.11992 15.6061 9.98397 numMergedOcc 0
47 mol 129 unq 1 iso 0 dist 9.61051 6.28565 6.30169 6.67948 15.3413 9.94578 numMergedOcc 0
48 mol 129 unq 2 iso 0 dist 5.83384 6.28565 4.55551 8.11992 10.0483 9.98397 numMergedOcc 0
49 mol 129 unq 3 iso 0 dist 5.83384 6.28565 4.55551 6.67948 8.03372 9.94578 numMergedOcc 0
50 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 14.206 13.2004 9.13191 numMergedOcc 0
51 mol 131 unq 0 iso 0 dist 8.40312 9.90168 7.7567 5.89022 8.86329 5.56627 numMergedOcc 0
52 mol 131 unq 1 iso 0 dist 8.40312 9.90168 7.7567 9.32969 11.4206 8.50562 numMergedOcc 0
53 mol 131 unq 2 iso 0 dist 7.12972 9.90168 8.23791 5.89022 8.71039 5.56627 numMergedOcc 0
54 mol 131 unq 3 iso 0 dist 7.12972 9.90168 8.23791 9.32969 6.92648 8.50562 numMergedOcc 0
55 mol 131 unq 4 iso 0 dist 6.85062 9.90168 13.7237 5.89022 11.6142 5.56627 numMergedOcc 0
56 mol 131 unq 5 iso 0 dist 6.85062 9.90168 13.7237 9.32969 9.29384 8.50562 numMergedOcc 0
57 mol 131 unq 6 iso 0 dist 6.85062 8.70296 14.2045 7.73656 13.311 6.48674 numMergedOcc 0
58 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 13.1292 13.6079 9.30061 numMergedOcc 0
59 mol 134 unq 1 iso 0 dist 6.54501 7.69991 5.71679 13.1292 13.846 9.30061 numMergedOcc 0
60 mol 134 unq 2 iso 0 dist 8.94367 6.23142 4.57832 9.4027 8.20836 9.30061 numMergedOcc 0
61 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 9.4027 10.873 9.30061 numMergedOcc 0
62 mol 134 unq 4 iso 0 dist 6.49416 6.23142 5.71679 9.4027 13.846 9.30061 numMergedOcc 0
63 mol 134 unq 5 iso 0 dist 9.86662 9.94764 4.57832 5.12325 8.20836 9.30061 numMergedOcc 0
64 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 5.12325 10.873 9.30061 numMergedOcc 0
65 mol 175 unq 0 iso 0 dist 9.29945 9.39352 7.27408 4.24624 8.0154 9.71028 numMergedOcc 0
66 mol 175 unq 1 iso 0 dist 6.57069 9.77896 8.29015 11.3554 12.6297 5.89564 numMergedOcc 0
67 mol 181 unq 0 iso 0 dist 5.98885 9.72611 5.6044 5.93488 6.51749 7.11785 numMergedOcc 0
68 mol 181 unq 1 iso 0 dist 9.09537 9.72611 12.9468 5.93488 7.20392 7.11785 numMergedOcc 0
69 mol 204 unq 0 iso 0 dist 8.51516 7.32294 5.86489 5.74707 6.85441 5.91727 numMergedOcc 0
70 mol 209 unq 0 iso 0 dist 7.56373 6.85935 6.552 4.90038 8.41195 7.97418 numMergedOcc 0
71 mol 220 unq 0 iso 0 dist 9.23153 6.59716 7.11498 6.17628 5.45036 5.37796 numMergedOcc 0
72 mol 222 unq 0 iso 0 dist 6.00706 9.07471 7.75466 6.42798 7.862 9.08955 numMergedOcc 0
73 mol 222 unq 1 iso 0 dist 7.54212 9.07471 13.3447 6.42798 12.5287 9.08955 numMergedOcc 0
74 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 14.8035 14.6969 8.28466 numMergedOcc 0
75 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 8.25884 7.83711 6.57921 numMergedOcc 0
76 mol 239 unq 0 iso 0 dist 7.00034 9.01021 10.0842 5.66732 10.2163 5.0804 numMergedOcc 0
77 mol 248 unq 0 iso 0 dist 9.56569 7.16525 4.30004 6.71566 6.77954 7.97135 numMergedOcc 0
78 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 5.90436 9.56685 8.2997 numMergedOcc 0
79 mol 278 unq 0 iso 0 dist 8.44326 8.00673 4.97614 6.54009 10.8604 7.21972 numMergedOcc 0
