0 mol 5 unq 0 iso 0 dist 5.04052 7.0627 3.33561 7.37069 8.87863 12.1228 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.87863 8.80355 9.50135 7.37069 5.04052 10.355 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 7.41235 9.75252 4.77763 7.7664 9.40953 13.4809 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 7.41235 5.27118 3.21417 7.7664 9.40953 8.16102 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 9.40953 8.16102 3.21417 7.7664 7.41235 5.27118 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 9.00377 9.75252 7.38657 7.7664 9.57896 13.4809 numMergedOcc 0
6 mol 27 unq 4 iso 0 dist 9.00377 5.27118 4.96577 7.7664 9.57896 8.16102 numMergedOcc 0
7 mol 27 unq 5 iso 0 dist 9.57896 8.16102 4.96577 7.7664 9.00377 5.27118 numMergedOcc 0
8 mol 36 unq 0 iso 0 dist 6.02824 5.58536 7.69482 5.71189 6.1084 10.7133 numMergedOcc 0
9 mol 36 unq 1 iso 0 dist 6.1084 6.6055 10.5994 5.71189 6.02824 10.1135 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 9.83729 9.80366 5.85766 10.1334 8.06358 12.8566 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 6.93938 7.87345 12.3755 5.96585 9.74956 12.3592 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 6.93938 9.01196 5.70307 5.96585 9.74956 13.9443 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 8.18122 9.85144 3.3389 12.0154 8.36221 5.80266 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 8.18122 9.85144 3.3389 13.4796 8.6441 6.78431 numMergedOcc 0
15 mol 123 unq 2 iso 0 dist 8.18122 9.85144 3.3389 5.33782 6.70684 6.60464 numMergedOcc 0
16 mol 123 unq 3 iso 0 dist 8.36221 8.09329 11.5607 12.0154 8.18122 18.3819 numMergedOcc 0
17 mol 123 unq 4 iso 0 dist 8.36221 8.09329 11.5607 3.65652 8.6441 6.13025 numMergedOcc 0
18 mol 123 unq 5 iso 0 dist 8.36221 8.09329 11.5607 6.84294 6.70684 14.0115 numMergedOcc 0
19 mol 123 unq 6 iso 0 dist 8.36221 5.80266 3.3389 12.0154 8.18122 9.85144 numMergedOcc 0
20 mol 123 unq 7 iso 0 dist 8.36221 5.80266 3.3389 3.65652 8.6441 6.78431 numMergedOcc 0
21 mol 123 unq 8 iso 0 dist 8.36221 5.80266 3.3389 6.84294 6.70684 6.60464 numMergedOcc 0
22 mol 123 unq 9 iso 0 dist 8.6441 5.18305 8.42496 13.4796 8.18122 14.2713 numMergedOcc 0
23 mol 123 unq 10 iso 0 dist 8.6441 5.18305 8.42496 3.65652 8.36221 8.39986 numMergedOcc 0
24 mol 123 unq 11 iso 0 dist 8.6441 5.18305 8.42496 8.81087 6.70684 11.0811 numMergedOcc 0
25 mol 123 unq 12 iso 0 dist 8.6441 6.13025 11.5607 13.4796 8.18122 18.3819 numMergedOcc 0
26 mol 123 unq 13 iso 0 dist 8.6441 6.13025 11.5607 3.65652 8.36221 8.09329 numMergedOcc 0
27 mol 123 unq 14 iso 0 dist 8.6441 6.13025 11.5607 8.81087 6.70684 14.0115 numMergedOcc 0
28 mol 123 unq 15 iso 0 dist 8.6441 6.78431 3.3389 13.4796 8.18122 9.85144 numMergedOcc 0
29 mol 123 unq 16 iso 0 dist 8.6441 6.78431 3.3389 3.65652 8.36221 5.80266 numMergedOcc 0
30 mol 123 unq 17 iso 0 dist 8.6441 6.78431 3.3389 8.81087 6.70684 6.60464 numMergedOcc 0
31 mol 123 unq 18 iso 0 dist 6.70684 6.60464 3.3389 5.33782 8.18122 9.85144 numMergedOcc 0
32 mol 123 unq 19 iso 0 dist 6.70684 6.60464 3.3389 6.84294 8.36221 5.80266 numMergedOcc 0
33 mol 123 unq 20 iso 0 dist 6.70684 6.60464 3.3389 8.81087 8.6441 6.78431 numMergedOcc 0
34 mol 148 unq 0 iso 0 dist 9.8506 7.91749 13.5156 8.87503 6.02506 13.4908 numMergedOcc 0
35 mol 150 unq 0 iso 0 dist 9.91991 7.96309 13.6094 8.95308 6.07854 13.5243 numMergedOcc 0
36 mol 198 unq 0 iso 0 dist 9.42723 6.49746 3.70259 11.5075 7.70823 9.70373 numMergedOcc 0
37 mol 198 unq 1 iso 0 dist 9.42723 6.49746 3.70259 13.5398 8.16611 9.76877 numMergedOcc 0
38 mol 198 unq 2 iso 0 dist 9.42723 5.8917 5.13258 11.5075 7.70823 10.3055 numMergedOcc 0
39 mol 198 unq 3 iso 0 dist 9.42723 5.8917 5.13258 13.5398 8.16611 12.2911 numMergedOcc 0
40 mol 198 unq 4 iso 0 dist 8.37455 7.48253 3.4601 9.85954 8.17562 6.13687 numMergedOcc 0
41 mol 198 unq 5 iso 0 dist 8.80827 6.13687 12.096 6.22439 6.10404 11.8142 numMergedOcc 0
42 mol 198 unq 6 iso 0 dist 8.80827 6.13687 12.096 6.24714 9.44678 12.1483 numMergedOcc 0
43 mol 198 unq 7 iso 0 dist 8.17562 6.13687 3.4601 9.85954 8.37455 7.48253 numMergedOcc 0
44 mol 198 unq 8 iso 0 dist 7.70823 9.70373 3.70259 11.5075 9.42723 6.49746 numMergedOcc 0
45 mol 198 unq 9 iso 0 dist 7.70823 9.70373 3.70259 7.86663 8.16611 9.76877 numMergedOcc 0
46 mol 198 unq 10 iso 0 dist 8.16611 9.76877 3.70259 13.5398 9.42723 6.49746 numMergedOcc 0
47 mol 198 unq 11 iso 0 dist 8.16611 9.76877 3.70259 7.86663 7.70823 9.70373 numMergedOcc 0
48 mol 214 unq 0 iso 0 dist 8.9694 6.03628 5.22858 13.4477 8.83512 12.0334 numMergedOcc 0
49 mol 214 unq 1 iso 0 dist 8.9694 6.03628 5.22858 14.8373 8.02723 12.4799 numMergedOcc 0
50 mol 214 unq 2 iso 0 dist 8.02723 9.22105 9.08285 14.8373 8.9694 17.8673 numMergedOcc 0
51 mol 214 unq 3 iso 0 dist 8.02723 9.22105 9.08285 13.0778 8.83512 13.2085 numMergedOcc 0
