0 mol 24 unq 0 iso 0 dist 6.11056 5.36722 6.72502 6.40447 8.09311 9.94429 8.94703 4.79736 11.2038 7.77964 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 13.0772 6.90155 6.29702 4.79873 6.86525 5.77745 5.63212 12.3361 7.44277 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.6396 13.3963 6.6492 5.23233 6.55597 8.89681 5.77745 6.47509 12.8378 8.07318 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 7.20538 9.91757 6.77886 7.2452 9.03564 10.5332 7.93171 9.96534 15.4669 8.77529 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.06168 9.33688 5.16364 10.8798 5.61588 5.50891 13.7119 5.9144 9.28577 8.46627 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.06168 9.33688 5.16364 13.7267 7.83244 4.75954 13.7119 5.9144 9.28577 9.22208 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.67532 13.4716 5.16364 10.8441 5.61588 5.50891 9.762 5.9144 9.28577 8.46627 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.67532 13.4716 5.16364 15.2203 7.83244 4.75954 9.762 5.9144 9.28577 9.22208 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.58841 5.25697 4.79949 16.3337 9.85905 11.0792 22.3883 15.4159 17.7033 9.59729 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.58841 10.7962 7.27693 16.3337 9.85905 6.48293 22.3883 15.4159 15.0426 9.59729 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 5.23795 9.33861 10.2518 10.9628 6.95017 12.4442 8.89015 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.3164 10.9842 5.34214 8.08642 7.07971 6.8409 9.94704 5.00433 9.78192 9.09348 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.02717 4.92962 5.72642 12.6105 9.42082 10.5109 9.5681 6.01673 10.6602 7.65564 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 9.92932 8.2282 8.20836 3.76211 7.21868 4.935 12.3555 7.41373 5.11043 8.62504 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 9.60369 4.02705 7.36779 4.63732 9.66543 4.935 8.78303 4.46337 5.11043 8.62504 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 9.55556 4.02705 8.20836 4.63732 7.21868 4.935 8.78303 7.41373 5.11043 8.62504 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 8.30654 6.29937 8.41611 4.68518 5.40637 6.16103 12.027 4.78563 13.1913 9.29944 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 8.30654 6.49958 7.63338 4.68518 5.40637 8.4697 12.027 4.78563 10.6706 9.29944 numMergedOcc 0
18 mol 143 unq 2 iso 0 dist 8.30654 6.80782 9.03707 4.68518 5.40637 5.41614 12.027 4.78563 10.8457 9.29944 numMergedOcc 0
19 mol 143 unq 3 iso 0 dist 8.30654 5.82537 7.25673 4.68518 5.40637 6.78032 12.027 4.78563 8.612 9.29944 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 9.18896 9.17928 8.85547 9.63192 5.12567 5.34977 12.034 4.56899 10.0653 4.76113 numMergedOcc 0
21 mol 207 unq 1 iso 0 dist 9.18896 12.5598 7.96797 9.63192 5.12567 5.47626 12.034 4.56899 8.78061 4.76113 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 9.51764 10.5029 6.38157 14.8375 7.46481 5.73082 23.1052 16.8346 13.6759 9.43017 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 5.36829 8.38755 6.38157 5.47184 7.46481 5.73082 13.4013 16.8346 13.6759 9.43017 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 7.36905 5.7394 7.52281 3.63202 5.90924 7.36132 9.13546 5.71153 6.02757 9.78237 numMergedOcc 0
25 mol 264 unq 1 iso 0 dist 7.36905 5.7394 7.52281 3.63202 5.90924 7.36132 10.5576 5.70542 11.9664 9.70101 numMergedOcc 0
26 mol 264 unq 2 iso 0 dist 7.36905 5.7394 7.52281 3.63202 5.90924 7.36132 8.7365 6.87635 8.67231 9.95798 numMergedOcc 0
27 mol 264 unq 3 iso 0 dist 6.83408 5.7394 6.42588 3.63202 9.58916 7.36132 9.13546 6.56539 6.02757 9.78237 numMergedOcc 0
28 mol 264 unq 4 iso 0 dist 6.83408 5.7394 6.42588 3.63202 9.58916 7.36132 10.5576 10.1301 11.9664 9.70101 numMergedOcc 0
29 mol 264 unq 5 iso 0 dist 6.83408 5.7394 6.42588 3.63202 9.58916 7.36132 8.7365 4.76241 8.67231 9.95798 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.77689 9.41779 6.57903 17.8399 9.57499 14.6871 20.2068 11.2997 13.6334 7.16209 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 8.51931 12.4389 6.57903 6.17642 9.57499 14.6871 10.3461 11.2997 13.6334 7.16209 numMergedOcc 0
