0 mol 0 unq 0 iso 0 dist 9.5614 5.25456 7.15528 10.0273 9.19662 6.26831 14.9633 14.3013 10.3034 7.48645 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.55156 7.1599 7.15528 12.1007 9.19662 6.26831 16.8515 14.3013 10.3034 7.48645 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 12.0214 10.2446 7.88043 10.5274 10.672 12.2708 9.55056 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 6.22892 7.15287 8.41585 12.0214 10.2446 7.88043 5.13744 6.36911 6.06176 7.45262 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 6.22892 7.15287 8.41585 11.7931 12.3097 8.80762 10.5274 10.672 12.2708 7.57354 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 6.22892 7.15287 8.41585 11.7931 12.3097 8.80762 5.13744 6.36911 6.06176 6.96586 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 12.2499 3.98483 9.78006 8.48796 8.47421 5.60154 8.04924 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 4.61828 6.00575 6.60423 8.91397 9.75144 5.39241 8.62284 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.43616 10.746 7.71338 10.7806 8.56707 6.43433 8.28828 11.6597 6.72991 7.82011 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 5.81552 10.626 9.60462 19.0535 17.3924 9.92283 17.2997 17.7547 8.57646 7.82011 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.24515 5.24877 7.5732 7.73842 11.128 6.34525 9.20722 12.383 5.31367 8.06525 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 8.99731 5.61704 5.72642 7.97477 11.695 11.7126 9.9928 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 9.56867 7.64822 7.88312 8.99731 7.3094 5.72642 7.97477 6.99777 11.7126 9.9928 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 9.05626 7.09664 8.70949 4.85559 5.97111 8.33077 5.53247 6.89257 8.84655 6.42785 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 13.0547 12.7056 8.41611 7.91134 9.93541 5.44503 6.40901 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 5.30872 6.3915 5.99315 13.9236 12.8872 7.63338 9.60743 9.27292 6.01455 8.1582 numMergedOcc 0
16 mol 143 unq 2 iso 0 dist 5.30872 6.3915 5.99315 13.9236 12.8872 7.63338 7.91134 9.93541 5.44503 9.40626 numMergedOcc 0
17 mol 143 unq 3 iso 0 dist 5.30872 6.3915 5.99315 12.697 9.23795 7.25673 9.60743 9.27292 6.01455 7.88655 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 9.4835 14.5108 8.82096 15.5549 10.2399 8.46327 12.5858 12.3623 10.7373 7.2498 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 7.98022 6.3873 5.72887 12.6187 12.3808 7.32982 8.43427 13.9989 8.85181 9.42618 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 4.78812 5.27123 8.33638 7.11691 8.7909 8.46061 10.3424 10.1966 8.52877 7.55161 numMergedOcc 0
21 mol 272 unq 1 iso 0 dist 6.62923 11.9042 9.97651 7.11691 4.86504 9.64269 10.3424 6.16449 4.72202 7.55161 numMergedOcc 0
22 mol 272 unq 2 iso 0 dist 6.62923 5.27123 8.46116 7.11691 4.86504 8.46061 10.3424 6.16449 8.52877 7.55161 numMergedOcc 0
