0 mol 13 unq 0 iso 0 dist 9.71115 7.0868 5.4424 6.72922 4.43066 3.53348 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 8.72535 12.7874 7.85573 10.4613 5.84744 9.37301 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 7.50417 10.7267 6.77808 8.07529 4.62314 8.76068 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 7.50417 10.7267 6.77808 9.79891 4.41745 6.05023 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 7.50417 10.7267 6.77808 12.9164 6.35234 11.6562 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 8.29369 13.023 6.02034 14.1127 7.32064 8.76068 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 8.29369 13.023 6.02034 13.2301 5.24136 6.05023 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 8.29369 13.023 6.02034 13.4041 6.44687 5.10057 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 8.29369 13.023 6.02034 7.94748 5.85007 11.6562 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 6.75455 10.7809 6.02034 10.5433 7.32064 8.76068 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 6.75455 10.7809 6.02034 10.4741 5.24136 6.05023 numMergedOcc 0
11 mol 78 unq 9 iso 0 dist 6.75455 10.7809 6.02034 12.8297 6.44687 5.10057 numMergedOcc 0
12 mol 78 unq 10 iso 0 dist 6.75455 10.7809 6.02034 7.00354 5.85007 11.6562 numMergedOcc 0
13 mol 78 unq 11 iso 0 dist 6.28063 10.7809 6.77808 10.5433 4.62314 8.76068 numMergedOcc 0
14 mol 78 unq 12 iso 0 dist 6.28063 10.7809 6.77808 10.4741 4.41745 6.05023 numMergedOcc 0
15 mol 78 unq 13 iso 0 dist 6.28063 10.7809 6.77808 7.00354 6.35234 11.6562 numMergedOcc 0
16 mol 87 unq 0 iso 0 dist 7.2833 8.1075 5.87906 6.17184 9.32056 5.72288 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 9.52341 9.44398 8.39253 9.88691 5.90003 4.80926 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 6.21436 9.15919 7.42783 10.3148 8.76076 6.08875 numMergedOcc 0
19 mol 196 unq 1 iso 0 dist 6.21436 9.15919 7.42783 4.06845 4.36496 5.22098 numMergedOcc 0
20 mol 196 unq 2 iso 0 dist 6.21436 9.15919 7.42783 5.57156 7.34995 10.3324 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 7.49227 9.22288 6.14732 8.80105 7.90991 6.55395 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 8.09975 10.3528 6.14732 5.60904 7.90991 6.55395 numMergedOcc 0
23 mol 255 unq 0 iso 0 dist 7.51273 10.5336 8.22083 6.06261 7.7177 5.14773 numMergedOcc 0
24 mol 278 unq 0 iso 0 dist 8.31953 12.33 6.97456 9.68966 9.54428 10.3886 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 5.33054 5.9309 7.90132 7.95433 8.4275 12.1132 numMergedOcc 0
26 mol 283 unq 1 iso 0 dist 8.56376 10.4657 7.90132 7.04425 8.4275 12.1132 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 8.99476 5.28998 8.92332 13.1392 9.7061 16.0657 numMergedOcc 0
