0 mol 12 unq 0 iso 0 dist 8.01372 4.4802 4.76018 9.57429 4.25774 7.13046 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 9.57429 4.4802 7.13046 8.01372 4.25774 4.76018 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.01238 4.25444 5.497 9.59446 4.36675 6.15893 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 9.60864 8.65083 7.21995 8.73518 5.69343 9.62637 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 9.60864 6.07757 7.70625 8.73518 5.69343 6.01423 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 5.65876 11.3038 6.90634 16.7012 12.1655 9.62236 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 9.68996 12.7763 8.97945 15.0248 8.99658 7.41399 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 9.68996 12.7763 8.97945 13.7203 10.8204 8.21165 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 9.68996 12.7763 8.97945 12.2194 8.99753 9.50664 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 9.68996 12.7763 8.97945 13.2036 5.75201 6.71555 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.41084 4.58314 4.25566 11.5467 6.33946 7.31037 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.93424 13.2439 7.31037 10.6158 6.33946 4.25566 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 6.07708 9.00192 6.64779 13.1046 7.69792 8.41245 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 8.70622 6.77092 6.99693 10.7125 6.75531 5.4997 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 9.33455 10.3017 7.94068 16.0559 9.00021 7.22019 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 6.62283 9.28896 8.90076 8.60978 6.25098 6.62002 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 6.62283 4.40826 6.87131 10.2906 4.34277 8.81629 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 6.62283 4.40826 6.87131 8.60978 6.25098 9.69818 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 6.62283 6.04481 8.09718 8.60978 6.25098 6.73446 numMergedOcc 0
19 mol 238 unq 4 iso 0 dist 8.60978 9.28896 6.62002 6.62283 6.25098 8.90076 numMergedOcc 0
20 mol 238 unq 5 iso 0 dist 8.60978 4.40826 9.69818 10.2906 8.96242 8.81629 numMergedOcc 0
21 mol 238 unq 6 iso 0 dist 8.60978 4.40826 9.69818 6.62283 6.25098 6.87131 numMergedOcc 0
22 mol 238 unq 7 iso 0 dist 8.60978 6.04481 6.73446 6.62283 6.25098 8.09718 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.499 6.19462 5.88802 10.2051 11.3911 7.02079 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 8.73597 15.5534 7.48269 14.3133 6.10011 6.71249 numMergedOcc 0
25 mol 256 unq 1 iso 0 dist 8.73597 15.5534 7.48269 19.9066 12.5562 9.18903 numMergedOcc 0
26 mol 256 unq 2 iso 0 dist 7.32198 12.6295 7.48269 13.1265 6.10011 6.71249 numMergedOcc 0
27 mol 256 unq 3 iso 0 dist 7.32198 12.6295 7.48269 17.7799 12.5562 9.18903 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 9.33975 4.3714 7.82157 6.37362 8.52019 9.18069 numMergedOcc 0
29 mol 280 unq 1 iso 0 dist 6.37362 4.3714 9.18069 9.33975 8.52019 7.82157 numMergedOcc 0
30 mol 280 unq 2 iso 0 dist 7.18775 5.90982 7.82157 9.9394 8.52019 9.18069 numMergedOcc 0
31 mol 280 unq 3 iso 0 dist 9.9394 5.90982 9.18069 7.18775 8.52019 7.82157 numMergedOcc 0
