0 mol 10 unq 0 iso 0 dist 5.40169 9.61828 5.59965 6.02543 3.92592 6.18431 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 5.40169 9.61828 5.59965 9.73087 5.53712 9.07726 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 8.00369 7.99067 5.59965 12.8238 4.99208 9.43029 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 6.39966 13.9675 9.95212 14.6955 9.79414 8.54034 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.69752 11.9395 8.00171 13.9632 5.70626 9.85784 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.69752 11.9395 8.00171 15.2234 5.62738 9.87996 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.2004 4.82556 5.95834 14.5223 12.5545 9.73647 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 6.2004 4.82556 5.95834 9.3934 4.08755 7.26334 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.2004 4.82556 5.95834 6.01284 6.86136 5.78532 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 6.2004 6.25108 4.2121 9.3934 4.08755 6.19899 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 6.2004 6.25108 4.2121 6.01284 6.86136 8.49709 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 6.2004 11.8207 6.72323 9.3934 4.08755 6.61696 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 6.2004 11.8207 6.72323 15.1479 10.0453 5.80953 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 4.90592 10.0715 6.72323 18.97 14.6305 9.85784 numMergedOcc 0
14 mol 24 unq 10 iso 0 dist 4.90592 10.0715 6.72323 18.1962 14.3224 9.87996 numMergedOcc 0
15 mol 24 unq 11 iso 0 dist 9.36461 11.9395 6.72323 13.9632 14.6305 9.85784 numMergedOcc 0
16 mol 24 unq 12 iso 0 dist 9.36461 11.9395 6.72323 15.2234 14.3224 9.87996 numMergedOcc 0
17 mol 26 unq 0 iso 0 dist 9.5053 5.66783 6.56527 6.38243 4.76998 6.81793 numMergedOcc 0
18 mol 26 unq 1 iso 0 dist 6.74848 5.45023 6.56527 7.90721 10.0347 6.7142 numMergedOcc 0
19 mol 30 unq 0 iso 0 dist 6.55815 5.60789 7.14464 9.53223 9.01474 5.22979 numMergedOcc 0
20 mol 48 unq 0 iso 0 dist 7.59316 4.16161 8.29857 8.72469 9.02536 6.03404 numMergedOcc 0
21 mol 48 unq 1 iso 0 dist 7.51285 4.20245 8.19993 8.92642 9.12073 6.07052 numMergedOcc 0
22 mol 48 unq 2 iso 0 dist 8.86698 14.2174 8.19993 17.3335 9.12073 6.07052 numMergedOcc 0
23 mol 79 unq 0 iso 0 dist 9.36156 6.01679 5.82754 12.9171 4.08868 8.02443 numMergedOcc 0
24 mol 79 unq 1 iso 0 dist 9.36156 11.0747 9.05679 12.9171 4.08868 9.09458 numMergedOcc 0
25 mol 92 unq 0 iso 0 dist 7.39179 13.0644 9.60622 15.3216 11.9597 8.98912 numMergedOcc 0
26 mol 92 unq 1 iso 0 dist 7.39179 9.98219 9.91054 15.3216 11.9597 8.93769 numMergedOcc 0
27 mol 98 unq 0 iso 0 dist 8.43352 8.02554 7.36769 12.2279 3.92737 9.25444 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 8.43352 8.02554 7.36769 8.75597 3.94967 9.84703 numMergedOcc 0
29 mol 98 unq 2 iso 0 dist 8.43352 11.2092 6.88901 12.2279 3.92737 8.46823 numMergedOcc 0
30 mol 98 unq 3 iso 0 dist 8.43352 11.2092 6.88901 8.75597 3.94967 4.62494 numMergedOcc 0
31 mol 112 unq 0 iso 0 dist 9.77017 7.22444 7.80873 15.703 10.4943 9.26353 numMergedOcc 0
32 mol 129 unq 0 iso 0 dist 9.98397 6.80501 7.59327 15.4164 8.3321 9.35533 numMergedOcc 0
33 mol 129 unq 1 iso 0 dist 9.94578 4.53459 7.59327 13.4823 8.3321 9.35533 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 8.92828 11.6708 5.87084 13.7499 6.11089 7.75314 numMergedOcc 0
35 mol 131 unq 1 iso 0 dist 5.44303 5.66194 5.87084 6.78801 6.11089 7.75314 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 7.64956 9.53115 6.83404 15.0988 10.0208 5.92302 numMergedOcc 0
37 mol 141 unq 1 iso 0 dist 4.46777 5.38571 6.83404 6.77921 3.98068 6.65731 numMergedOcc 0
38 mol 171 unq 0 iso 0 dist 7.32555 9.54524 5.25109 16.8594 11.4851 7.47964 numMergedOcc 0
39 mol 171 unq 1 iso 0 dist 8.1536 9.18337 5.25109 16.4868 10.0655 9.34834 numMergedOcc 0
40 mol 171 unq 2 iso 0 dist 8.1536 9.18337 5.25109 10.1987 4.88147 5.74846 numMergedOcc 0
41 mol 181 unq 0 iso 0 dist 7.11785 8.30281 7.22883 15.5793 14.2282 8.12266 numMergedOcc 0
42 mol 181 unq 1 iso 0 dist 7.11785 8.30281 7.22883 15.9432 10.273 9.43306 numMergedOcc 0
43 mol 181 unq 2 iso 0 dist 7.11785 8.30281 7.22883 11.8699 5.14966 8.59681 numMergedOcc 0
44 mol 194 unq 0 iso 0 dist 5.68348 7.50057 6.38324 6.72182 7.41775 9.00322 numMergedOcc 0
45 mol 194 unq 1 iso 0 dist 5.68348 5.92931 6.1886 5.53324 4.002 4.19371 numMergedOcc 0
46 mol 194 unq 2 iso 0 dist 5.68348 5.92931 6.1886 11.4466 7.09553 9.71015 numMergedOcc 0
47 mol 220 unq 0 iso 0 dist 6.51288 3.95218 9.73541 9.93097 10.7405 9.23863 numMergedOcc 0
48 mol 225 unq 0 iso 0 dist 9.23935 8.98957 8.37739 7.8744 3.94409 6.94762 numMergedOcc 0
49 mol 225 unq 1 iso 0 dist 9.23935 8.98957 8.37739 12.6753 8.31193 9.89167 numMergedOcc 0
50 mol 225 unq 2 iso 0 dist 7.77552 8.98957 9.47237 7.8744 6.88465 6.94762 numMergedOcc 0
51 mol 225 unq 3 iso 0 dist 7.77552 8.98957 9.47237 12.6753 6.8122 9.89167 numMergedOcc 0
52 mol 232 unq 0 iso 0 dist 6.57921 13.8622 9.8664 10.7452 4.68548 6.59036 numMergedOcc 0
53 mol 232 unq 1 iso 0 dist 8.28466 12.721 9.8664 18.1946 11.2243 9.9183 numMergedOcc 0
