0 mol 13 unq 0 iso 0 dist 8.37063 5.04036 6.00386 10.6435 14.5084 9.10587 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 6.80844 5.04036 9.78622 10.6435 16.4304 9.10587 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 9.39738 8.37544 8.08985 10.9801 13.869 6.13181 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 9.9421 4.92955 8.08985 5.85716 13.869 6.13181 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.55124 8.42713 12.0188 8.02579 13.5421 5.51624 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.55124 8.42713 12.0188 12.3147 14.6379 7.8674 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 9.28645 7.98999 12.9813 13.0525 21.2674 9.74569 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 9.80939 6.4752 8.47507 6.96543 12.0638 9.23528 numMergedOcc 0
8 mol 163 unq 0 iso 0 dist 6.96837 5.80513 6.36862 3.64474 8.67619 7.3546 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 9.75562 6.69054 5.07688 9.6968 10.9871 9.75627 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.43256 8.35581 6.49088 13.6171 10.9055 7.32419 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 8.43256 8.35581 6.49088 13.6238 14.0561 8.31961 numMergedOcc 0
12 mol 175 unq 2 iso 0 dist 8.14202 6.72569 6.49088 10.2269 10.9055 7.32419 numMergedOcc 0
13 mol 175 unq 3 iso 0 dist 8.14202 6.72569 6.49088 10.4606 14.0561 8.31961 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 9.08655 7.47107 14.3589 11.4288 19.169 5.52678 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 9.08655 7.47107 14.3589 15.4624 20.6073 9.81666 numMergedOcc 0
16 mol 250 unq 0 iso 0 dist 8.63767 9.21681 10.9696 14.1113 10.6065 9.60364 numMergedOcc 0
17 mol 250 unq 1 iso 0 dist 8.66164 9.21681 6.87023 14.1113 15.87 9.60364 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 6.43775 8.28871 10.1582 5.7394 9.54836 5.74568 numMergedOcc 0
19 mol 286 unq 0 iso 0 dist 9.02971 7.3415 7.34486 7.28845 11.3532 5.91064 numMergedOcc 0
