0 mol 5 unq 0 iso 0 dist 4.9568 4.42081 7.56229 8.70824 10.7591 8.97274 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 4.9568 4.42081 7.56229 5.93404 3.91535 7.5815 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 8.76224 7.77448 9.2146 14.7412 8.89273 9.4148 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 8.76224 7.77448 9.2146 11.2344 8.10455 6.87842 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.4702 3.77705 5.88409 11.6965 8.72788 9.83555 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.18214 6.4113 5.64092 11.1018 6.89433 7.50377 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 7.06029 10.0025 9.04293 5.55798 4.13187 8.26763 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 7.06029 6.35003 4.78333 5.55798 4.13187 6.30814 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 9.94528 6.51558 5.35861 6.77845 4.48523 5.25361 numMergedOcc 0
9 mol 83 unq 1 iso 0 dist 8.94777 9.07479 5.35861 5.48555 4.48523 5.25361 numMergedOcc 0
10 mol 83 unq 2 iso 0 dist 9.47551 5.46512 5.35861 10.4604 4.48523 5.25361 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 6.48066 9.43003 7.0961 5.60956 3.60864 8.18217 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 6.48066 8.01699 8.21227 5.60956 3.60864 5.51167 numMergedOcc 0
13 mol 168 unq 2 iso 0 dist 8.47543 6.97182 8.26768 12.9343 7.08284 8.18217 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 7.50458 6.22697 7.65903 6.09291 10.1931 7.06772 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 5.79554 6.22697 5.97653 6.09291 10.5136 7.06772 numMergedOcc 0
16 mol 169 unq 2 iso 0 dist 4.22003 6.22697 7.75523 6.09291 10.212 7.06772 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 8.93485 6.10058 7.68686 14.2455 13.8162 8.92597 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 8.93485 6.10058 7.68686 8.47833 6.82382 7.53734 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 8.93485 6.10058 7.68686 5.05912 9.27501 9.79826 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 5.66636 3.50446 7.68686 12.1567 13.8162 8.92597 numMergedOcc 0
21 mol 205 unq 4 iso 0 dist 5.66636 3.50446 7.68686 5.47586 6.82382 7.53734 numMergedOcc 0
22 mol 205 unq 5 iso 0 dist 5.66636 3.50446 7.68686 6.60429 9.27501 9.79826 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 4.90656 4.91709 8.88902 4.87053 5.63584 7.99441 numMergedOcc 0
24 mol 255 unq 0 iso 0 dist 7.80616 5.98092 8.7958 10.743 10.2353 5.88708 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 9.35293 10.858 8.20376 14.8446 7.63149 8.9221 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 9.35293 10.858 8.20376 13.6478 4.39553 9.51145 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 7.93375 7.54309 8.20376 12.9059 7.63149 8.9221 numMergedOcc 0
28 mol 266 unq 3 iso 0 dist 7.93375 7.54309 8.20376 11.907 4.39553 9.51145 numMergedOcc 0
