0 mol 4 unq 0 iso 0 dist 6.59244 10.7448 7.2062 6.47885 5.30385 6.49727 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.59244 10.7448 7.2062 9.57968 9.77024 7.84775 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 5.27589 8.42461 5.0018 8.36356 7.30397 6.23257 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 4.78749 5.09348 7.84552 6.2838 8.3964 3.4435 numMergedOcc 0
4 mol 29 unq 0 iso 0 dist 9.27422 10.7323 5.94216 5.22384 9.19374 11.1283 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.09042 9.29223 8.22018 8.86056 9.79863 13.3912 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 6.09042 6.49202 8.31737 8.86056 9.79863 12.1326 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.30598 6.26178 8.96872 10.6525 8.83135 6.64001 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 7.11102 7.21042 9.20544 11.6661 7.81731 11.2619 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.19029 6.9671 7.15255 5.16948 8.36723 5.51374 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 7.22838 6.26585 4.46402 6.77685 5.79029 3.64317 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 6.6011 7.80194 5.35691 11.3395 7.37823 3.72014 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.54443 9.00592 9.49617 8.78075 6.23057 3.5693 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.49961 12.0011 7.55125 9.7952 6.91534 3.88767 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 8.49961 12.0011 7.55125 10.1967 8.67704 4.15092 numMergedOcc 0
15 mol 250 unq 0 iso 0 dist 5.97672 6.37166 9.2861 5.61043 8.85979 10.583 numMergedOcc 0
16 mol 280 unq 0 iso 0 dist 8.64546 9.20428 7.8766 10.8277 7.42529 9.3284 numMergedOcc 0
17 mol 280 unq 1 iso 0 dist 8.64546 13.4467 7.70759 10.8277 7.42529 3.84243 numMergedOcc 0
18 mol 280 unq 2 iso 0 dist 3.97964 6.10214 7.8766 5.51019 7.42529 9.3284 numMergedOcc 0
19 mol 280 unq 3 iso 0 dist 3.97964 7.30732 7.70759 5.51019 7.42529 3.84243 numMergedOcc 0
20 mol 280 unq 4 iso 0 dist 4.55639 9.20428 9.94082 5.92566 8.47055 9.3579 numMergedOcc 0
21 mol 280 unq 5 iso 0 dist 4.55639 8.78666 9.9882 5.92566 8.47055 6.43667 numMergedOcc 0
22 mol 280 unq 6 iso 0 dist 7.72152 6.10214 9.94082 10.0297 8.47055 9.3579 numMergedOcc 0
23 mol 280 unq 7 iso 0 dist 7.72152 8.50821 9.9882 10.0297 8.47055 6.43667 numMergedOcc 0
