0 mol 19 unq 0 iso 0 dist 6.92532 7.75618 13.9675 4.97119 6.39966 9.95212 8.7083 14.6955 8.54034 9.79414 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 4.32034 9.69752 8.00171 9.88364 13.9632 9.85784 5.70626 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 4.32034 9.69752 8.00171 9.78753 15.2234 9.87996 5.62738 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.60423 9.41441 11.9395 12.2662 16.6617 5.95834 9.88364 13.9632 9.85784 11.6859 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.60423 9.41441 11.9395 12.2662 16.6617 5.95834 9.78753 15.2234 9.87996 9.80106 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.60423 9.41441 11.9395 8.67951 12.7806 4.2121 9.88364 13.9632 9.85784 11.076 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.60423 9.41441 11.9395 8.67951 12.7806 4.2121 9.78753 15.2234 9.87996 9.68535 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 9.88364 13.9632 9.85784 14.6305 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 9.78753 15.2234 9.87996 14.3224 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 6.72502 8.60554 6.99746 14.012 11.5841 6.72323 14.8647 13.0098 6.61696 4.08755 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 6.72502 8.60554 6.99746 14.012 11.5841 6.72323 5.11636 8.24948 5.80953 10.0453 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 4.93188 6.73939 10.0715 6.56748 11.4664 5.95834 15.4313 18.97 9.85784 11.6859 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 4.93188 6.73939 10.0715 6.56748 11.4664 5.95834 14.1829 18.1962 9.87996 9.80106 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 4.93188 6.73939 10.0715 4.50066 8.78859 4.2121 15.4313 18.97 9.85784 11.076 numMergedOcc 0
14 mol 24 unq 13 iso 0 dist 4.93188 6.73939 10.0715 4.50066 8.78859 4.2121 14.1829 18.1962 9.87996 9.68535 numMergedOcc 0
15 mol 24 unq 14 iso 0 dist 4.93188 6.73939 10.0715 11.9112 14.7684 8.00171 15.4313 18.97 9.85784 5.70626 numMergedOcc 0
16 mol 24 unq 15 iso 0 dist 4.93188 6.73939 10.0715 11.9112 14.7684 8.00171 14.1829 18.1962 9.87996 5.62738 numMergedOcc 0
17 mol 24 unq 16 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 15.4313 18.97 9.85784 14.6305 numMergedOcc 0
18 mol 24 unq 17 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 14.1829 18.1962 9.87996 14.3224 numMergedOcc 0
19 mol 25 unq 0 iso 0 dist 6.90155 6.16347 11.0508 6.08585 12.7162 6.25843 5.63212 12.3361 5.20109 3.904 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 6.6492 7.45383 11.7817 5.77929 11.4352 6.25843 6.47509 12.8378 5.20109 3.904 numMergedOcc 0
21 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 5.81765 10.9962 6.93197 7.73394 6.73167 6.07276 10.1622 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 14.3301 10.9559 9.91054 6.95017 12.4442 8.93769 11.9597 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 10.4782 12.2279 8.46823 3.92737 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 7.26086 6.65501 11.2092 7.06961 8.43352 6.88901 3.9764 8.75597 4.62494 3.94967 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 8.03372 4.97175 4.53459 4.55551 9.94578 7.59327 6.16616 13.4823 9.35533 8.3321 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 6.76699 6.16242 9.34112 12.131 13.4305 8.95662 13.0405 11.9059 8.83732 6.24625 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 9.74444 12.165 9.10042 13.4066 6.77921 6.65731 14.0725 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 7.86572 9.97343 5.38571 6.91919 10.7655 9.75059 13.4066 6.77921 6.65731 13.1981 numMergedOcc 0
29 mol 141 unq 2 iso 0 dist 7.86572 9.97343 5.38571 10.1432 4.46777 6.83404 13.4066 6.77921 6.65731 3.98068 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 5.48551 10.352 7.22518 9.35703 11.1022 9.34834 14.0016 numMergedOcc 0
31 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 5.48551 10.352 7.22518 9.14311 10.6118 5.74846 11.4302 numMergedOcc 0
32 mol 171 unq 2 iso 0 dist 7.71426 5.93786 6.29877 7.9651 11.4752 5.25109 9.35703 11.1022 9.34834 10.0655 numMergedOcc 0
33 mol 171 unq 3 iso 0 dist 7.71426 5.93786 6.29877 7.9651 11.4752 5.25109 9.14311 10.6118 5.74846 4.88147 numMergedOcc 0
34 mol 171 unq 4 iso 0 dist 5.10618 8.24693 6.29877 8.05069 10.352 7.22518 14.4375 11.1022 9.34834 14.0016 numMergedOcc 0
35 mol 171 unq 5 iso 0 dist 5.10618 8.24693 6.29877 8.05069 10.352 7.22518 13.6262 10.6118 5.74846 11.4302 numMergedOcc 0
36 mol 171 unq 6 iso 0 dist 5.10618 8.24693 6.29877 12.6853 11.4752 5.25109 14.4375 11.1022 9.34834 10.0655 numMergedOcc 0
37 mol 171 unq 7 iso 0 dist 5.10618 8.24693 6.29877 12.6853 11.4752 5.25109 13.6262 10.6118 5.74846 4.88147 numMergedOcc 0
38 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 11.6598 5.68348 6.1886 10.0756 5.53324 4.19371 4.002 numMergedOcc 0
39 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 11.6598 5.68348 6.1886 16.4082 11.4466 9.71015 7.09553 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 8.83356 6.72379 7.50057 7.11753 5.68348 6.38324 4.66791 6.72182 9.00322 7.41775 numMergedOcc 0
41 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 5.42461 10.7452 6.59036 4.68548 numMergedOcc 0
42 mol 235 unq 0 iso 0 dist 6.39158 6.36341 7.85398 5.5163 11.4177 6.94789 13.089 11.0265 7.39085 14.2323 numMergedOcc 0
