0 mol 12 unq 0 iso 0 dist 7.99569 4.40652 7.92714 6.1378 9.8142 6.55567 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 6.80314 10.8117 7.92012 7.83348 5.16502 6.43075 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 6.80314 10.8117 7.92012 4.2802 8.26398 11.3153 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.3964 11.3328 6.72323 10.0962 7.85986 12.2839 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.3964 11.3328 6.72323 8.56474 4.30252 6.22954 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.98417 7.46244 6.56527 12.6093 9.11311 12.5394 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 9.98746 7.19218 7.48846 5.05082 6.53981 8.06674 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 6.8073 13.8841 8.29857 10.7407 8.12997 12.4707 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 6.8073 13.8841 8.29857 10.8995 6.13153 8.98812 numMergedOcc 0
9 mol 48 unq 2 iso 0 dist 6.8073 13.8841 8.29857 10.5685 5.7836 3.50984 numMergedOcc 0
10 mol 48 unq 3 iso 0 dist 6.8073 13.8841 8.29857 5.44298 7.32996 11.7253 numMergedOcc 0
11 mol 48 unq 4 iso 0 dist 6.8073 13.8841 8.29857 4.92775 5.89173 12.69 numMergedOcc 0
12 mol 48 unq 5 iso 0 dist 6.42242 13.5334 8.19993 10.3657 7.84895 12.5401 numMergedOcc 0
13 mol 48 unq 6 iso 0 dist 6.42242 13.5334 8.19993 10.4457 5.8541 9.01489 numMergedOcc 0
14 mol 48 unq 7 iso 0 dist 6.42242 13.5334 8.19993 10.1874 5.82264 3.65036 numMergedOcc 0
15 mol 48 unq 8 iso 0 dist 6.42242 13.5334 8.19993 5.39197 7.20729 11.7978 numMergedOcc 0
16 mol 48 unq 9 iso 0 dist 6.42242 13.5334 8.19993 4.89976 5.72703 12.5721 numMergedOcc 0
17 mol 55 unq 0 iso 0 dist 9.89804 9.83082 9.93096 8.45962 6.76315 3.56023 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 9.18097 5.25569 9.66222 6.90443 8.04853 11.3242 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 9.18097 5.25569 9.66222 13.1381 6.46549 15.4245 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 8.83135 16.1324 9.66222 14.6513 8.04853 11.3242 numMergedOcc 0
21 mol 85 unq 3 iso 0 dist 8.83135 16.1324 9.66222 9.99421 6.46549 15.4245 numMergedOcc 0
22 mol 91 unq 0 iso 0 dist 6.93893 12.671 8.66165 12.7678 9.97813 5.21888 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 5.74593 8.27358 5.50508 3.63696 8.4219 9.18008 numMergedOcc 0
24 mol 93 unq 0 iso 0 dist 7.13064 8.41572 8.74378 9.6722 5.56839 5.90646 numMergedOcc 0
25 mol 93 unq 1 iso 0 dist 7.8962 8.41572 8.89417 9.6722 7.83506 5.90646 numMergedOcc 0
26 mol 93 unq 2 iso 0 dist 7.8962 5.74733 9.95255 9.6722 7.83506 12.949 numMergedOcc 0
27 mol 102 unq 0 iso 0 dist 9.2062 13.32 8.88394 6.04036 6.07633 7.28191 numMergedOcc 0
28 mol 116 unq 0 iso 0 dist 7.92221 11.1384 8.38606 8.53743 8.58308 4.13755 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 5.4455 4.44921 6.1886 11.7008 8.43182 13.0087 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 8.27761 8.33098 9.78181 11.775 9.78273 12.3206 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 8.27761 17.7633 9.8664 11.775 9.78273 12.159 numMergedOcc 0
32 mol 244 unq 0 iso 0 dist 9.97458 12.5433 7.95359 4.80974 9.30179 8.74744 numMergedOcc 0
33 mol 244 unq 1 iso 0 dist 9.97458 12.5433 7.95359 13.59 6.10489 5.98501 numMergedOcc 0
34 mol 244 unq 2 iso 0 dist 9.97458 12.5433 7.95359 12.146 4.4204 5.00596 numMergedOcc 0
35 mol 244 unq 3 iso 0 dist 9.97458 14.3743 6.22122 4.80974 9.30179 13.2473 numMergedOcc 0
36 mol 244 unq 4 iso 0 dist 9.97458 14.3743 6.22122 13.59 6.10489 10.1665 numMergedOcc 0
37 mol 244 unq 5 iso 0 dist 9.97458 14.3743 6.22122 12.146 4.4204 5.68434 numMergedOcc 0
38 mol 266 unq 0 iso 0 dist 6.77259 9.63118 7.00243 12.1427 7.63543 4.72338 numMergedOcc 0
