0 mol 11 unq 0 iso 0 dist 9.91417 4.42747 5.56531 6.89739 5.67087 4.48789 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 7.52145 9.74984 5.78231 7.64212 5.9972 6.00133 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 7.52145 7.27475 9.41538 7.64212 5.9972 5.43575 numMergedOcc 0
3 mol 32 unq 2 iso 0 dist 8.35776 11.3409 5.78231 7.70136 5.9972 6.00133 numMergedOcc 0
4 mol 32 unq 3 iso 0 dist 8.35776 8.8719 9.41538 7.70136 5.9972 5.43575 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 7.32472 8.69348 6.35997 6.68767 9.56614 9.4837 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 9.02073 9.10704 8.51839 6.85145 9.20861 5.13667 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.61831 4.63832 8.63792 8.76407 8.90522 12.9327 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.61514 5.40682 6.56288 12.3084 5.61151 12.0467 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.21116 5.40682 5.97559 12.3084 6.54289 12.0467 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 8.21116 5.40682 5.97559 15.5542 7.52869 11.8012 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 8.21116 5.40682 5.97559 16.0243 9.18945 12.0763 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 9.98861 8.14775 6.02596 6.94038 6.18681 8.43244 numMergedOcc 0
13 mol 90 unq 1 iso 0 dist 9.98861 14.9764 8.17454 6.94038 6.18681 12.4268 numMergedOcc 0
14 mol 90 unq 2 iso 0 dist 5.52904 4.03085 6.02596 7.88117 6.18681 8.43244 numMergedOcc 0
15 mol 90 unq 3 iso 0 dist 5.52904 4.99029 8.17454 7.88117 6.18681 12.4268 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.91021 8.63314 8.42277 8.1142 8.86956 8.8704 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 5.5917 4.81238 8.42277 4.90946 8.86956 8.8704 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 9.48604 5.92054 7.50304 13.5529 7.92317 11.3038 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 5.55632 4.57254 8.50487 5.33656 5.97134 6.17464 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.89804 7.35256 8.78251 6.55937 6.24036 11.0552 numMergedOcc 0
21 mol 212 unq 0 iso 0 dist 9.67805 6.70623 8.4285 9.84085 7.98532 6.91503 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 9.05194 14.9602 9.05879 11.4763 8.56867 10.9568 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 9.05194 5.495 6.67548 11.4763 8.56867 6.08436 numMergedOcc 0
24 mol 264 unq 2 iso 0 dist 9.02526 5.495 5.57579 11.4763 6.29872 6.08436 numMergedOcc 0
25 mol 281 unq 0 iso 0 dist 8.78416 4.88562 9.05453 13.4831 9.94612 10.095 numMergedOcc 0
26 mol 281 unq 1 iso 0 dist 7.82358 5.91239 9.05453 6.93582 9.94612 10.095 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 6.82335 11.0879 8.81999 12.7758 9.33755 4.83248 numMergedOcc 0
28 mol 294 unq 1 iso 0 dist 9.14005 14.7951 8.81999 15.943 9.33755 4.83248 numMergedOcc 0
