0 mol 0 unq 0 iso 0 dist 9.23213 6.26831 4.04089 7.40865 9.30151 5.73813 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.81979 6.26831 7.56754 7.40865 6.11501 5.73813 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 8.53529 11.4716 5.65816 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 6.85412 9.78006 7.98363 9.62394 4.45625 7.28672 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 6.33889 9.78006 10.4204 9.62394 6.0397 7.28672 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 9.87449 7.032 6.93413 8.64915 10.9409 4.58685 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 9.87449 7.032 6.93413 8.17347 8.50857 5.83039 numMergedOcc 0
7 mol 9 unq 4 iso 0 dist 9.87449 7.032 6.93413 7.83133 6.89307 9.193 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 8.78293 6.92532 15.1136 7.75618 6.2337 13.9675 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 8.23643 6.92532 6.87842 7.75618 14.4867 13.9675 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 7.82528 6.92532 6.34272 7.75618 11.4087 13.9675 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 7.685 5.81959 9.96732 8.6653 12.9735 6.61233 numMergedOcc 0
12 mol 52 unq 0 iso 0 dist 7.18176 9.66501 8.75928 6.31696 6.29814 12.6605 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 7.13087 5.16364 5.69513 6.02816 6.93907 9.03289 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 8.36431 6.61823 10.4141 8.91313 10.2475 14.4996 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 8.36431 6.61823 10.4141 8.16392 6.94695 6.90324 numMergedOcc 0
16 mol 92 unq 2 iso 0 dist 8.36431 6.49956 4.36639 8.91313 10.2475 12.0757 numMergedOcc 0
17 mol 92 unq 3 iso 0 dist 8.36431 6.49956 4.36639 8.16392 6.94695 7.64508 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 8.72704 9.00544 14.6145 7.38135 11.0949 5.46256 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 8.72704 7.12017 6.00843 7.38135 11.0949 9.38256 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 5.87358 5.34214 5.94311 7.80523 6.89298 10.8469 numMergedOcc 0
21 mol 114 unq 0 iso 0 dist 8.71128 6.34525 14.3491 6.84011 9.23527 8.51024 numMergedOcc 0
22 mol 124 unq 0 iso 0 dist 6.83051 8.58188 8.52488 6.96281 6.89396 5.97523 numMergedOcc 0
23 mol 124 unq 1 iso 0 dist 9.28376 8.58188 5.93612 6.96281 7.66641 5.97523 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 6.91348 9.29384 6.01893 8.70296 9.93183 10.8127 numMergedOcc 0
25 mol 131 unq 1 iso 0 dist 6.91348 9.29384 6.01893 9.25558 5.90177 11.2516 numMergedOcc 0
26 mol 131 unq 2 iso 0 dist 9.51418 9.29384 15.1974 8.70296 16.5048 10.8127 numMergedOcc 0
27 mol 131 unq 3 iso 0 dist 9.51418 9.29384 15.1974 9.25558 5.70899 11.2516 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.6355 5.53031 11.9544 7.80532 14.1488 8.98004 numMergedOcc 0
29 mol 156 unq 0 iso 0 dist 7.36119 7.73169 14.0853 7.30357 11.9671 8.40261 numMergedOcc 0
30 mol 156 unq 1 iso 0 dist 7.36119 7.73169 14.0853 8.61587 8.69711 12.8796 numMergedOcc 0
31 mol 156 unq 2 iso 0 dist 7.36119 5.38091 5.33988 7.30357 11.9671 12.4049 numMergedOcc 0
32 mol 156 unq 3 iso 0 dist 7.36119 5.38091 5.33988 8.61587 8.69711 11.7015 numMergedOcc 0
33 mol 163 unq 0 iso 0 dist 9.19209 8.5043 8.26893 9.69121 6.84883 4.12188 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 9.52634 5.4969 11.4433 9.39352 7.60254 8.94702 numMergedOcc 0
35 mol 175 unq 1 iso 0 dist 9.52634 6.4318 6.38017 9.39352 7.60254 4.06277 numMergedOcc 0
36 mol 175 unq 2 iso 0 dist 9.52634 7.35824 6.05776 9.39352 7.60254 10.3786 numMergedOcc 0
37 mol 175 unq 3 iso 0 dist 9.52634 9.17364 5.85047 9.39352 7.60254 11.9672 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.94688 6.51749 10.4684 8.90963 4.43678 13.0913 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 6.71012 6.51749 12.69 8.90963 6.03415 13.0913 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 8.65535 10.7231 5.92931 numMergedOcc 0
41 mol 194 unq 1 iso 0 dist 5.48258 8.83356 7.69247 8.29382 4.79043 12.361 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 5.48258 8.83356 7.69247 6.72379 4.26755 7.50057 numMergedOcc 0
43 mol 194 unq 3 iso 0 dist 6.15769 8.83356 13.9521 8.29382 6.56076 12.361 numMergedOcc 0
44 mol 194 unq 4 iso 0 dist 6.15769 8.83356 13.9521 6.72379 10.0315 7.50057 numMergedOcc 0
45 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 9.26504 4.4994 6.0634 numMergedOcc 0
46 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 9.26504 5.99784 6.0634 numMergedOcc 0
47 mol 204 unq 0 iso 0 dist 5.90931 6.85441 10.7974 9.68728 11.145 5.42649 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 8.19953 8.37597 8.5129 9.51597 6.99977 10.1672 numMergedOcc 0
49 mol 234 unq 0 iso 0 dist 6.25105 8.24186 13.0974 9.81425 13.0631 9.68666 numMergedOcc 0
50 mol 234 unq 1 iso 0 dist 6.16063 9.007 7.54397 6.30154 5.70413 7.82953 numMergedOcc 0
51 mol 234 unq 2 iso 0 dist 6.16063 9.007 7.54397 7.32499 7.17691 5.76537 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 9.29858 7.32982 6.48619 9.24557 10.3809 4.77308 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 9.90142 6.66971 5.8333 7.57812 10.3147 4.77308 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 9.90142 6.66971 5.8333 8.69104 15.6823 10.2777 numMergedOcc 0
55 mol 240 unq 0 iso 0 dist 6.15305 9.47583 9.75032 6.68687 9.66581 15.5587 numMergedOcc 0
56 mol 240 unq 1 iso 0 dist 8.0951 9.47583 12.9871 6.68687 7.03039 15.5587 numMergedOcc 0
