0 mol 38 unq 0 iso 0 dist 6.12374 6.12182 7.26639 9.81175 4.57886 9.23576 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.86485 7.71984 9.22598 7.93406 5.04521 7.84983 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 6.86485 4.67517 8.96727 7.93406 5.04521 9.56737 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 8.37546 4.67517 8.01308 7.93406 10.2341 9.56737 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 9.76234 12.5529 9.22598 12.2523 5.04521 7.84983 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 9.76234 8.47822 8.96727 12.2523 5.04521 9.56737 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.77648 12.4431 6.9362 19.6575 10.2162 9.57969 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 9.18161 9.69519 6.9362 13.167 10.2162 9.57969 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.18572 13.7055 8.13108 11.9939 4.74638 6.83992 numMergedOcc 0
9 mol 89 unq 0 iso 0 dist 7.06277 4.4691 8.40422 8.45308 3.30729 9.58625 numMergedOcc 0
10 mol 89 unq 1 iso 0 dist 7.06277 8.3977 5.51831 8.45308 3.30729 6.36021 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 5.93561 5.15479 6.29161 13.0046 10.4255 8.21889 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 5.33967 5.15479 7.86666 13.0046 14.5244 8.21889 numMergedOcc 0
13 mol 109 unq 2 iso 0 dist 5.33967 14.949 9.77497 10.4454 6.54844 6.31633 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 5.20001 5.17524 6.10127 5.38954 6.66127 7.70533 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 8.4375 5.57978 6.69691 10.7832 5.04019 6.29026 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.62413 5.57978 5.51197 10.7832 4.79473 6.29026 numMergedOcc 0
17 mol 129 unq 2 iso 0 dist 6.93102 5.57978 8.86944 10.7832 10.1802 6.29026 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 4.54218 10.5394 8.07097 14.1552 10.189 6.42756 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 8.36316 11.2797 8.07097 16.3362 10.189 6.42756 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.28282 11.3614 7.2793 11.7001 6.01218 7.66381 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 7.81696 7.37734 7.85184 14.4829 13.9441 7.66381 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 9.42801 10.8094 5.1823 13.5245 5.39025 7.2346 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 6.66615 4.53426 5.90058 7.82276 8.41904 7.22789 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 8.53037 6.23528 8.6759 11.1102 5.58312 9.05218 numMergedOcc 0
