0 mol 19 unq 0 iso 0 dist 6.8824 7.84393 10.38 9.01721 14.2971 7.82074 6.31174 13.0619 8.73972 6.55187 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.33492 7.84393 6.01189 9.01721 8.18518 7.82074 6.31174 5.36258 8.73972 6.55187 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.58581 6.85331 6.88453 9.20254 13.0211 6.86014 8.91397 13.8202 9.75144 5.39241 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 9.36674 9.56867 16.6569 9.97256 18.3228 6.11741 7.97477 14.6895 6.99777 10.8292 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 9.36674 9.56867 16.6569 9.97256 18.3228 6.11741 6.58038 13.6085 9.14376 6.12943 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 9.36674 9.56867 16.6569 7.64822 12.411 7.88312 7.97477 14.6895 6.99777 11.7126 numMergedOcc 0
6 mol 115 unq 3 iso 0 dist 9.36674 9.56867 16.6569 7.64822 12.411 7.88312 6.58038 13.6085 9.14376 4.62962 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.64438 6.85677 5.81718 4.99061 9.85387 6.18601 9.87733 7.41608 9.80862 9.35964 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.64438 6.85677 5.81718 4.99061 9.85387 6.18601 11.7378 6.36583 8.43904 10.3457 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 7.73306 6.495 11.6877 10.0823 17.544 7.7059 10.343 14.6742 6.03703 9.92344 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.84695 5.67862 8.44345 9.52819 13.403 6.37586 6.30187 13.1565 5.42582 5.41704 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.84695 5.67862 8.44345 12.4156 18.124 9.71307 6.30187 13.1565 5.42582 6.17103 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 8.84695 7.97208 7.46245 12.5576 13.9196 6.54501 6.30187 13.1565 8.6355 10.1448 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 8.84695 7.97208 7.46245 9.52819 13.403 6.49416 6.30187 13.1565 8.6355 5.41704 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 9.30469 6.73365 12.0877 5.73338 9.09725 5.6234 7.92448 13.1492 9.0664 5.28109 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 9.30469 6.73365 12.0877 12.753 15.2411 9.92231 7.92448 13.1492 9.0664 7.14477 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.37469 8.9077 16.7786 10.6943 18.2396 9.23153 10.4277 17.5033 6.84247 6.7067 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 8.37469 8.9077 16.7786 10.6943 18.2396 9.23153 12.6281 18.3255 6.99002 15.9568 numMergedOcc 0
18 mol 220 unq 2 iso 0 dist 8.37469 8.9077 16.7786 15.396 22.7748 8.24498 10.4277 17.5033 6.84247 6.05129 numMergedOcc 0
19 mol 220 unq 3 iso 0 dist 8.37469 8.9077 16.7786 15.396 22.7748 8.24498 12.6281 18.3255 6.99002 11.1321 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 9.31156 4.79841 6.87755 11.4653 12.2287 8.95269 5.64308 8.76325 7.06793 9.36098 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 9.31156 4.79841 6.87755 11.4653 12.2287 8.95269 7.32238 12.0468 6.67585 5.29877 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 9.06244 9.51581 7.94567 9.67023 12.9555 6.33524 10.8603 11.4162 7.32347 6.3384 numMergedOcc 0
