0 mol 15 unq 0 iso 0 dist 6.82187 7.49229 5.89412 8.3794 9.75966 6.03257 8.83891 6.91314 6.23015 5.20798 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 10.4834 8.40416 11.0283 4.64838 9.95212 14.6799 10.4416 8.54034 9.79414 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.0319 15.919 9.01567 13.1713 6.66749 4.2121 15.9164 8.91183 6.19899 4.08755 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.0319 15.919 9.01567 13.1713 6.66749 4.2121 17.6884 13.0212 8.49709 6.86136 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.0319 15.2997 7.29868 13.1713 6.66749 6.72323 15.9164 8.91183 6.61696 4.08755 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.0319 15.2997 7.29868 13.1713 6.66749 6.72323 12.1911 5.69214 5.80953 10.0453 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 6.12361 6.76331 6.46104 5.56687 7.23703 6.93197 10.3597 5.56139 6.07276 10.1622 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.23812 14.7042 9.24757 13.0322 6.29906 8.87464 13.1768 6.20232 8.96616 5.29727 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.23812 14.7042 9.24757 13.0322 6.29906 8.87464 12.8474 5.70116 6.14542 3.85385 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.03536 11.1037 9.30539 11.2586 4.57085 8.66165 16.456 12.6799 8.77355 10.6223 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 7.689 12.5859 7.01812 11.1456 10.6848 9.5057 11.7018 4.03277 6.59691 12.48 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 9.22737 10.6748 8.30845 17.1976 15.3454 9.5057 13.861 6.23008 6.59691 12.48 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 8.59695 7.95267 4.97175 6.52844 4.55551 7.59327 13.9579 6.16616 9.35533 8.3321 numMergedOcc 0
13 mol 129 unq 1 iso 0 dist 6.42706 8.03693 4.97175 9.51709 4.55551 7.59327 11.2637 6.16616 9.35533 8.3321 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.97762 11.4871 6.16242 11.0921 12.131 8.95662 11.716 13.0405 8.83732 6.24625 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 7.73971 8.94436 9.61462 11.6947 11.5561 5.25109 10.8482 7.5383 7.47964 11.4851 numMergedOcc 0
16 mol 171 unq 1 iso 0 dist 7.73971 8.94436 9.61462 12.2237 10.844 8.21618 10.8482 7.5383 7.47964 12.9811 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 9.21656 4.89551 5.50492 11.4714 7.6169 7.95359 8.93589 6.1597 6.53416 3.92686 numMergedOcc 0
18 mol 244 unq 1 iso 0 dist 9.21656 4.89551 5.50492 10.2667 5.17744 6.22122 8.93589 6.1597 6.53416 10.3324 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.41236 11.7852 7.46394 15.2385 11.1602 7.75216 11.3844 5.22914 7.77765 13.9324 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 8.41236 11.7852 7.46394 15.2385 11.1602 7.75216 21.2208 14.7507 9.65868 10.7442 numMergedOcc 0
