0 mol 19 unq 0 iso 0 dist 8.40416 4.64838 9.95212 10.4416 8.54034 9.79414 10.1882 13.9675 6.39966 14.6955 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 7.75618 4.97119 9.95212 8.7083 8.54034 9.79414 6.92532 13.9675 6.39966 14.6955 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.41441 4.32034 8.00171 9.88364 9.85784 5.70626 6.60423 11.9395 9.69752 13.9632 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.41441 4.32034 8.00171 9.78753 9.87996 5.62738 6.60423 11.9395 9.69752 15.2234 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.41441 8.52463 6.72323 9.88364 9.85784 14.6305 13.0257 10.0715 4.90592 18.97 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.41441 8.52463 6.72323 9.88364 9.85784 14.6305 6.60423 11.9395 9.36461 13.9632 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 9.41441 8.52463 6.72323 9.78753 9.87996 14.3224 13.0257 10.0715 4.90592 18.1962 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 9.41441 8.52463 6.72323 9.78753 9.87996 14.3224 6.60423 11.9395 9.36461 15.2234 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 11.1214 6.25108 6.2004 9.3934 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 11.1214 6.25108 6.2004 6.01284 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 6.73939 11.9112 8.00171 15.4313 9.85784 5.70626 14.156 11.9395 9.69752 13.9632 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 6.73939 11.9112 8.00171 14.1829 9.87996 5.62738 14.156 11.9395 9.69752 15.2234 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 6.73939 5.11617 6.72323 15.4313 9.85784 14.6305 4.93188 10.0715 4.90592 18.97 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 6.73939 5.11617 6.72323 15.4313 9.85784 14.6305 14.156 11.9395 9.36461 13.9632 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 6.73939 5.11617 6.72323 14.1829 9.87996 14.3224 4.93188 10.0715 4.90592 18.1962 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 6.73939 5.11617 6.72323 14.1829 9.87996 14.3224 14.156 11.9395 9.36461 15.2234 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 15.5937 11.8207 6.2004 9.3934 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 15.5937 11.8207 6.2004 15.1479 numMergedOcc 0
18 mol 24 unq 16 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 11.1214 11.8207 6.2004 9.3934 numMergedOcc 0
19 mol 24 unq 17 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 11.1214 11.8207 6.2004 15.1479 numMergedOcc 0
20 mol 24 unq 18 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 18.2639 11.8207 6.2004 9.3934 numMergedOcc 0
21 mol 24 unq 19 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 18.2639 11.8207 6.2004 15.1479 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 7.52354 14.3301 9.91054 6.95017 8.93769 11.9597 14.1162 9.98219 7.39179 15.3216 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 6.65501 7.06961 6.88901 10.4782 8.46823 3.92737 7.26086 11.2092 8.43352 12.2279 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 6.65501 7.06961 6.88901 3.9764 4.62494 3.94967 7.26086 11.2092 8.43352 8.75597 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 4.97175 4.55551 7.59327 6.16616 9.35533 8.3321 10.0483 6.80501 9.98397 15.4164 numMergedOcc 0
26 mol 129 unq 1 iso 0 dist 4.97175 4.55551 7.59327 6.16616 9.35533 8.3321 8.03372 4.53459 9.94578 13.4823 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 9.97343 10.1432 6.83404 13.4066 6.65731 3.98068 7.86572 5.38571 4.46777 6.77921 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 9.70413 7.27731 6.83404 8.54432 6.65731 3.98068 10.271 5.38571 4.46777 6.77921 numMergedOcc 0
29 mol 171 unq 0 iso 0 dist 9.61462 11.5561 5.25109 7.5383 7.47964 11.4851 18.0501 9.54524 7.32555 16.8594 numMergedOcc 0
30 mol 171 unq 1 iso 0 dist 6.64834 4.78075 5.25109 8.99935 9.34834 10.0655 12.6307 9.18337 8.1536 16.4868 numMergedOcc 0
31 mol 171 unq 2 iso 0 dist 6.64834 4.78075 5.25109 7.15048 5.74846 4.88147 12.6307 9.18337 8.1536 10.1987 numMergedOcc 0
32 mol 171 unq 3 iso 0 dist 5.93786 7.9651 5.25109 9.35703 9.34834 10.0655 14.2846 9.18337 8.1536 16.4868 numMergedOcc 0
33 mol 171 unq 4 iso 0 dist 5.93786 7.9651 5.25109 9.14311 5.74846 4.88147 14.2846 9.18337 8.1536 10.1987 numMergedOcc 0
34 mol 171 unq 5 iso 0 dist 8.24693 12.6853 5.25109 14.4375 9.34834 10.0655 15.3908 9.18337 8.1536 16.4868 numMergedOcc 0
35 mol 171 unq 6 iso 0 dist 8.24693 12.6853 5.25109 13.6262 5.74846 4.88147 15.3908 9.18337 8.1536 10.1987 numMergedOcc 0
36 mol 171 unq 7 iso 0 dist 7.36698 5.90026 5.25109 4.66982 9.34834 10.0655 13.1421 9.18337 8.1536 16.4868 numMergedOcc 0
37 mol 171 unq 8 iso 0 dist 7.36698 5.90026 5.25109 3.65288 5.74846 4.88147 13.1421 9.18337 8.1536 10.1987 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 5.9176 6.29863 7.22883 10.6474 8.12266 14.2282 11.6563 8.30281 7.11785 15.5793 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 5.9176 6.29863 7.22883 5.12833 9.43306 10.273 11.6563 8.30281 7.11785 15.9432 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 5.9176 6.29863 7.22883 4.61184 8.59681 5.14966 11.6563 8.30281 7.11785 11.8699 numMergedOcc 0
41 mol 194 unq 0 iso 0 dist 8.65535 11.6598 6.1886 10.0756 4.19371 4.002 6.26839 5.92931 5.68348 5.53324 numMergedOcc 0
42 mol 194 unq 1 iso 0 dist 8.65535 11.6598 6.1886 16.4082 9.71015 7.09553 6.26839 5.92931 5.68348 11.4466 numMergedOcc 0
43 mol 194 unq 2 iso 0 dist 6.72379 7.11753 6.38324 4.66791 9.00322 7.41775 8.83356 7.50057 5.68348 6.72182 numMergedOcc 0
44 mol 232 unq 0 iso 0 dist 8.50102 12.3508 9.8664 9.74344 9.9183 11.2243 14.8539 12.721 8.28466 18.1946 numMergedOcc 0
45 mol 232 unq 1 iso 0 dist 9.40808 8.80479 9.8664 5.10213 9.9183 11.2243 14.6969 12.721 8.28466 18.1946 numMergedOcc 0
46 mol 232 unq 2 iso 0 dist 9.05071 4.9377 9.8664 5.42461 6.59036 4.68548 7.83711 13.8622 6.57921 10.7452 numMergedOcc 0
