0 mol 28 unq 0 iso 0 dist 6.14086 6.82151 8.53424 11.0854 11.7233 8.76224 13.6465 16.4255 9.2146 7.77448 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 6.76158 4.3475 8.53424 5.9948 11.7233 8.76224 9.77719 16.4255 9.2146 7.77448 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 6.31487 6.82151 7.08766 11.0854 13.0183 8.76224 13.6465 16.0765 9.2146 7.77448 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 7.423 4.3475 7.08766 5.9948 13.0183 8.76224 9.77719 16.0765 9.2146 7.77448 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 7.07851 6.82151 4.82199 11.0854 10.9699 8.76224 13.6465 13.6412 9.2146 7.77448 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 5.89257 4.3475 4.82199 5.9948 10.9699 8.76224 9.77719 13.6412 9.2146 7.77448 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.0827 5.4275 4.46067 6.49446 6.13411 7.25138 5.48283 3.73834 7.16844 5.56988 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.26805 6.27527 7.66068 9.0101 9.68005 6.46582 14.8387 9.50354 9.57759 11.3491 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.68577 6.27527 9.5043 9.0101 14.6547 6.46582 14.8387 12.0331 9.57759 11.3491 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.00481 9.83939 5.31126 12.1482 3.74516 7.96893 15.6211 9.59189 8.67025 8.60362 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.27028 16.2029 7.02358 10.6138 5.96967 9.86767 12.1666 3.52445 4.30875 7.09333 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.47439 4.18108 5.28353 10.4499 3.96437 6.48066 8.65328 10.919 7.0961 9.43003 numMergedOcc 0
12 mol 168 unq 1 iso 0 dist 8.47439 4.18108 5.28353 10.4499 3.96437 6.48066 11.2284 6.91388 8.21227 8.01699 numMergedOcc 0
13 mol 168 unq 2 iso 0 dist 8.47439 4.18108 5.28353 10.4499 3.96437 6.48066 5.69346 6.65321 6.53038 9.98239 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 9.3206 9.93901 5.10589 12.3862 3.69097 7.78577 16.199 9.60496 8.6961 8.55252 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 6.18165 6.5732 5.10589 9.10097 4.24401 7.50458 5.87263 3.18152 7.65903 6.22697 numMergedOcc 0
16 mol 169 unq 2 iso 0 dist 6.18165 4.14139 4.63336 9.10097 4.24401 5.79554 5.87263 3.18152 5.97653 6.22697 numMergedOcc 0
17 mol 169 unq 3 iso 0 dist 6.18165 7.73206 6.10715 9.10097 4.24401 4.22003 5.87263 3.18152 7.75523 6.22697 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.82717 4.32488 4.87942 9.75853 3.42324 7.69952 10.2573 4.79079 8.17928 6.21273 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 8.19926 4.32488 7.25595 9.75853 8.26669 7.69952 10.2573 3.60793 8.17928 6.21273 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 8.35328 6.56644 4.55853 9.6748 3.79865 6.46793 7.42359 7.66826 9.53137 6.76489 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 7.22473 7.91474 8.62655 4.76689 3.48905 9.46576 15.7202 15.6308 9.73217 17.1277 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 7.22473 7.91474 8.62655 4.76689 3.48905 9.46576 6.54521 7.35802 7.49606 6.73886 numMergedOcc 0
23 mol 260 unq 2 iso 0 dist 7.22473 7.91474 8.62655 4.76689 3.48905 9.46576 11.1285 10.4054 8.06377 11.1586 numMergedOcc 0
24 mol 260 unq 3 iso 0 dist 6.02628 5.30931 7.04263 4.76689 3.43711 7.88108 10.7533 8.22506 8.51564 9.0549 numMergedOcc 0
25 mol 260 unq 4 iso 0 dist 7.13397 4.38276 8.62655 8.79012 3.48905 9.46576 8.52702 15.6308 9.73217 17.1277 numMergedOcc 0
26 mol 260 unq 5 iso 0 dist 7.13397 4.38276 8.62655 8.79012 3.48905 9.46576 9.85302 7.35802 7.49606 6.73886 numMergedOcc 0
27 mol 260 unq 6 iso 0 dist 7.13397 4.38276 8.62655 8.79012 3.48905 9.46576 11.1504 10.4054 8.06377 11.1586 numMergedOcc 0
28 mol 260 unq 7 iso 0 dist 5.33278 8.90225 6.48099 8.79012 8.84611 7.88108 7.97307 3.68866 8.51564 9.0549 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 6.9943 4.58167 6.96692 11.9892 7.2339 9.35293 6.61768 3.68488 8.20376 10.858 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 6.9943 4.58167 6.96692 9.477 3.87565 7.93375 6.61768 3.68488 8.20376 7.54309 numMergedOcc 0
31 mol 266 unq 2 iso 0 dist 7.36685 4.58167 8.25286 11.9892 12.15 9.35293 6.61768 3.14784 8.20376 10.858 numMergedOcc 0
32 mol 266 unq 3 iso 0 dist 7.36685 4.58167 8.25286 9.477 9.25882 7.93375 6.61768 3.14784 8.20376 7.54309 numMergedOcc 0
33 mol 266 unq 4 iso 0 dist 9.20906 16.8584 9.9965 23.7333 14.8334 9.35293 14.2324 5.95721 8.20376 10.858 numMergedOcc 0
34 mol 266 unq 5 iso 0 dist 9.20906 16.8584 9.9965 21.0218 12.1357 7.93375 14.2324 5.95721 8.20376 7.54309 numMergedOcc 0
35 mol 266 unq 6 iso 0 dist 9.03099 4.58167 9.9965 11.9892 14.8334 9.35293 6.61768 5.95721 8.20376 10.858 numMergedOcc 0
36 mol 266 unq 7 iso 0 dist 9.03099 4.58167 9.9965 9.477 12.1357 7.93375 6.61768 5.95721 8.20376 7.54309 numMergedOcc 0
