0 mol 7 unq 0 iso 0 dist 9.99746 14.9736 6.44736 11.7737 6.14349 6.7985 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.8848 11.4699 8.48677 11.242 6.17866 6.55811 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.8848 11.4699 8.48677 10.9757 4.41171 7.36018 numMergedOcc 0
3 mol 65 unq 0 iso 0 dist 9.91234 12.4023 9.34791 13.6332 5.56801 6.72639 numMergedOcc 0
4 mol 65 unq 1 iso 0 dist 9.91234 10.2221 8.22785 13.6332 5.56801 6.76508 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 6.3322 6.29657 7.4671 9.0779 4.04941 7.70232 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.89317 8.82375 9.23858 14.7893 12.3703 6.52773 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 8.74577 11.9415 9.08382 10.7546 4.38093 8.76789 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 8.74577 15.2717 9.3778 10.7546 4.38093 7.73435 numMergedOcc 0
9 mol 125 unq 2 iso 0 dist 9.94322 13.0245 8.76789 9.7728 4.38093 9.08382 numMergedOcc 0
10 mol 125 unq 3 iso 0 dist 9.94322 15.5695 7.73435 9.7728 4.38093 9.3778 numMergedOcc 0
11 mol 125 unq 4 iso 0 dist 9.7728 13.0245 9.08382 9.94322 4.38093 8.76789 numMergedOcc 0
12 mol 125 unq 5 iso 0 dist 9.7728 15.5695 9.3778 9.94322 4.38093 7.73435 numMergedOcc 0
13 mol 125 unq 6 iso 0 dist 8.35871 5.14447 8.76789 6.75122 4.38093 9.08382 numMergedOcc 0
14 mol 125 unq 7 iso 0 dist 8.35871 6.10523 7.73435 6.75122 4.38093 9.3778 numMergedOcc 0
15 mol 125 unq 8 iso 0 dist 6.75122 5.14447 9.08382 8.35871 4.38093 8.76789 numMergedOcc 0
16 mol 125 unq 9 iso 0 dist 6.75122 6.10523 9.3778 8.35871 4.38093 7.73435 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 6.52844 6.13737 6.28565 9.47532 7.91034 7.58957 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 9.7113 11.462 7.58957 15.7983 7.91034 6.28565 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 8.75305 10.6289 7.30357 5.13522 6.12113 8.61587 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 5.13522 10.6289 8.61587 8.75305 6.12113 7.30357 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 8.29782 7.69281 5.93786 9.91804 3.98338 8.1344 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 8.29782 12.3639 8.24693 9.91804 3.98338 6.71356 numMergedOcc 0
23 mol 171 unq 2 iso 0 dist 7.61144 10.307 8.1344 10.3893 3.98338 5.93786 numMergedOcc 0
24 mol 171 unq 3 iso 0 dist 7.61144 5.60928 6.71356 10.3893 3.98338 8.24693 numMergedOcc 0
25 mol 174 unq 0 iso 0 dist 8.39178 4.69892 8.87569 7.54918 4.17687 9.87122 numMergedOcc 0
26 mol 174 unq 1 iso 0 dist 7.54918 4.69892 9.87122 8.39178 4.17687 8.87569 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 8.90567 5.4328 6.59025 11.0517 9.87773 6.46704 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 9.2933 5.32364 5.9176 8.77781 9.53592 6.41453 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 8.77781 5.32364 6.41453 9.2933 9.53592 5.9176 numMergedOcc 0
30 mol 195 unq 0 iso 0 dist 9.854 9.70055 6.95086 13.4264 9.90317 7.36683 numMergedOcc 0
31 mol 212 unq 0 iso 0 dist 6.80332 5.3615 9.74144 12.6328 12.5482 8.69988 numMergedOcc 0
32 mol 212 unq 1 iso 0 dist 6.80332 5.3615 9.74144 12.7684 15.0034 8.55903 numMergedOcc 0
33 mol 212 unq 2 iso 0 dist 6.80332 5.3615 9.74144 7.64336 5.24023 7.15603 numMergedOcc 0
34 mol 212 unq 3 iso 0 dist 7.64336 5.3615 7.15603 6.80332 5.24023 9.74144 numMergedOcc 0
35 mol 212 unq 4 iso 0 dist 7.64336 5.3615 7.15603 12.6328 7.34372 8.69988 numMergedOcc 0
36 mol 212 unq 5 iso 0 dist 7.64336 5.3615 7.15603 12.7684 10.7093 8.55903 numMergedOcc 0
37 mol 237 unq 0 iso 0 dist 9.46558 6.71678 7.41478 11.3073 8.65228 9.20822 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 9.49129 5.65008 7.57812 6.80544 6.25098 8.69104 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 6.80544 5.65008 8.69104 9.49129 6.25098 7.57812 numMergedOcc 0
