0 mol 11 unq 0 iso 0 dist 6.49709 5.59847 4.10106 5.51815 4.61088 6.54358 10.4181 5.96346 6.859 6.86684 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.94828 9.23015 5.63212 14.2406 7.57578 10.9703 6.84017 6.16347 5.20109 9.34396 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.94828 9.23015 5.63212 14.2406 7.57578 10.9703 15.5398 7.92503 13.0308 6.11127 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.94828 9.23015 5.63212 15.6642 7.17969 10.3338 6.84017 6.16347 5.20109 10.8498 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.94828 9.23015 5.63212 15.6642 7.17969 10.3338 15.5398 7.92503 13.0308 5.30154 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 5.5249 8.80331 6.6263 5.33298 8.95682 10.3764 6.18002 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.06275 8.74209 5.41726 10.4413 6.20293 6.75943 5.33298 8.95682 10.3764 8.38399 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.43143 9.73435 4.03844 10.5786 8.8178 12.4827 11.9655 9.27838 6.91169 15.434 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.43143 9.73435 4.03844 16.2349 9.96708 12.111 11.9655 9.27838 6.91169 11.6378 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 9.26438 6.62354 5.00433 5.68669 8.69985 8.52024 5.26309 7.80523 7.56755 7.74599 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 6.43255 8.00085 5.00433 6.80429 8.69985 8.52024 11.4333 7.80523 7.56755 7.74599 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 8.47907 6.91978 6.9791 9.75696 8.37808 11.6822 6.9595 9.23819 12.291 7.39059 numMergedOcc 0
12 mol 122 unq 1 iso 0 dist 8.47907 6.91978 6.9791 9.75696 8.37808 11.6822 10.577 8.88537 13.8731 5.0355 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 9.42271 7.76446 15.9138 6.16353 6.54501 12.4385 5.87436 7.80532 13.3808 7.41674 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 9.42271 7.76446 15.9138 7.07625 6.49416 11.0808 5.87436 7.80532 13.3808 9.87376 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 9.42271 6.14652 12.3479 6.16353 6.54501 11.2896 5.87436 7.80532 10.1824 7.41674 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 9.42271 6.14652 12.3479 7.07625 6.49416 9.33094 5.87436 7.80532 10.1824 9.87376 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 5.79157 7.96353 10.7951 13.0109 9.86662 19.209 12.2847 9.94764 19.6182 4.57832 numMergedOcc 0
18 mol 134 unq 5 iso 0 dist 5.79157 7.96353 10.7951 14.1608 9.71307 20.4188 12.2847 9.94764 19.6182 5.29786 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 6.32302 9.90415 5.70473 6.52416 8.22528 7.27993 6.7597 8.66332 9.37336 6.65022 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 6.32302 6.92268 4.17276 6.52416 8.22528 10.3243 6.7597 8.66332 11.7964 6.65022 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 8.53615 5.96615 5.70473 6.81165 8.22528 7.27993 5.3298 8.66332 9.37336 6.65022 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.57253 8.1692 5.42461 9.29407 8.27212 10.3021 5.70548 9.05071 6.59036 8.80479 numMergedOcc 0
23 mol 243 unq 0 iso 0 dist 7.80612 9.89379 4.81639 9.62983 8.23192 11.4025 9.85403 8.76935 13.4721 6.60697 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 7.80612 9.89379 4.81639 9.62983 8.23192 11.4025 7.14241 8.47652 12.3645 4.26017 numMergedOcc 0
