0 mol 56 unq 0 iso 0 dist 6.78356 14.6957 8.63486 12.7981 8.98797 11.2318 11.5077 5.07125 6.15355 6.43007 numMergedOcc 0
1 mol 115 unq 0 iso 0 dist 8.99731 7.64822 5.72642 7.97477 9.9928 11.7126 6.3642 8.4965 5.03039 13.2709 numMergedOcc 0
2 mol 130 unq 0 iso 0 dist 4.85559 7.09664 8.33077 5.53247 6.42785 8.84655 7.12852 6.5739 7.21225 11.4437 numMergedOcc 0
3 mol 130 unq 1 iso 0 dist 6.87562 9.03539 8.33077 11.1141 6.42785 8.84655 3.79867 6.5739 7.21225 11.4437 numMergedOcc 0
4 mol 158 unq 0 iso 0 dist 7.24115 13.5328 7.88319 8.52244 6.39981 6.63727 4.87865 6.11331 13.7172 9.88872 numMergedOcc 0
5 mol 194 unq 0 iso 0 dist 8.63008 13.445 6.26839 8.91682 9.77862 15.9311 5.39223 5.53324 10.0756 8.31541 numMergedOcc 0
6 mol 194 unq 1 iso 0 dist 8.63008 13.445 6.26839 8.91682 9.77862 15.9311 11.8568 6.72182 11.8031 6.72001 numMergedOcc 0
7 mol 194 unq 2 iso 0 dist 8.63008 15.3582 8.12346 8.91682 9.77862 13.7758 5.39223 5.53324 10.2793 8.31541 numMergedOcc 0
8 mol 194 unq 3 iso 0 dist 8.63008 15.3582 8.12346 8.91682 9.77862 13.7758 11.8568 6.72182 9.09233 6.72001 numMergedOcc 0
9 mol 194 unq 4 iso 0 dist 8.63008 10.977 8.83356 8.91682 9.77862 5.38925 5.39223 5.53324 10.463 8.31541 numMergedOcc 0
10 mol 194 unq 5 iso 0 dist 8.63008 10.977 8.83356 8.91682 9.77862 5.38925 11.8568 6.72182 4.66791 6.72001 numMergedOcc 0
11 mol 194 unq 6 iso 0 dist 8.63008 16.6746 8.2654 8.91682 9.77862 14.2415 5.39223 5.53324 12.8494 8.31541 numMergedOcc 0
12 mol 194 unq 7 iso 0 dist 8.63008 16.6746 8.2654 8.91682 9.77862 14.2415 11.8568 6.72182 7.73551 6.72001 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 5.46768 7.00308 6.60567 6.76675 9.79691 13.6975 4.79025 6.34234 5.41635 10.5776 numMergedOcc 0
14 mol 195 unq 1 iso 0 dist 5.46768 7.00308 6.60567 6.76675 9.79691 13.6975 6.01032 7.87972 11.9954 4.18074 numMergedOcc 0
15 mol 195 unq 2 iso 0 dist 5.46768 5.34788 7.62942 6.76675 9.79691 6.08211 4.79025 6.34234 6.04871 10.5776 numMergedOcc 0
16 mol 195 unq 3 iso 0 dist 5.46768 5.34788 7.62942 6.76675 9.79691 6.08211 6.01032 7.87972 8.04534 4.18074 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 9.05206 8.99603 7.63018 15.4215 6.4829 10.9823 4.86533 9.14831 11.3763 15.1464 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 7.00547 5.93967 9.18895 11.1704 7.95883 9.60485 8.94002 9.22269 4.81762 5.65395 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.33735 15.9389 8.38865 9.78356 9.20589 9.60993 13.5696 5.28771 4.1511 9.08701 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 9.33735 15.9389 8.38865 6.0465 7.89801 13.3557 13.5696 5.28771 4.1511 12.0749 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 9.33735 10.8811 5.4694 9.78356 9.20589 5.34702 13.5696 5.28771 4.69247 9.08701 numMergedOcc 0
22 mol 227 unq 3 iso 0 dist 9.33735 10.8811 5.4694 6.0465 7.89801 8.8709 13.5696 5.28771 4.69247 12.0749 numMergedOcc 0
23 mol 237 unq 0 iso 0 dist 7.68769 9.81634 7.42587 5.18559 7.35569 5.54394 12.2324 8.7414 6.01528 9.99177 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.84798 13.8061 8.29305 14.1561 8.23056 5.3373 14.4305 5.8304 6.5644 6.25207 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 8.84798 13.8061 8.29305 14.1561 8.23056 5.3373 6.08238 7.37478 8.70069 10.8722 numMergedOcc 0
26 mol 279 unq 2 iso 0 dist 8.84798 7.7504 6.43341 14.1561 8.23056 7.18967 14.4305 5.8304 9.40912 6.25207 numMergedOcc 0
27 mol 279 unq 3 iso 0 dist 8.84798 7.7504 6.43341 14.1561 8.23056 7.18967 6.08238 7.37478 4.14939 10.8722 numMergedOcc 0
