0 mol 44 unq 0 iso 0 dist 7.85573 9.4798 11.6488 9.64095 7.42925 13.4333 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.52763 7.23914 4.86374 3.63144 9.78973 5.84875 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 6.23298 5.70192 5.52457 7.29309 9.30836 11.5264 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 6.23298 5.70192 5.52457 4.31746 6.58279 9.0008 numMergedOcc 0
4 mol 67 unq 2 iso 0 dist 9.85405 7.65646 5.52457 7.83316 9.30836 11.5264 numMergedOcc 0
5 mol 67 unq 3 iso 0 dist 9.85405 7.65646 5.52457 7.58981 6.58279 9.0008 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.93688 7.57958 5.02124 11.6798 7.2131 7.1539 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.93688 7.57958 5.02124 12.656 7.44343 5.39745 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.52125 7.90328 7.59628 12.9454 9.95103 7.09065 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.71671 8.42487 4.95298 4.1431 9.5002 9.07734 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 5.28955 9.47892 8.00732 4.09788 6.13508 7.26955 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.46716 9.9492 6.50232 6.3462 5.75595 6.46089 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 5.55129 8.07915 5.58057 5.03347 7.32163 8.28564 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 5.53778 7.97801 5.55906 4.80033 7.42372 8.39475 numMergedOcc 0
14 mol 183 unq 0 iso 0 dist 9.92635 7.42108 16.8061 8.96895 5.5781 15.9846 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 9.52151 7.15624 10.277 12.6614 9.30312 16.0398 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 6.14732 8.82471 6.07589 4.21811 8.61546 10.9439 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 6.14732 8.82471 6.07589 11.032 7.17024 10.7799 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 7.99525 7.79085 5.30261 9.77057 9.92671 7.10413 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 9.20965 6.48753 5.30261 9.30551 9.92671 7.10413 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 8.28364 7.77265 6.88405 10.9686 5.98438 12.2123 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 8.28364 9.65322 12.946 10.9686 5.98438 18.264 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.14634 8.62431 7.47324 5.15747 9.02661 11.838 numMergedOcc 0
