0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.48342 4.39605 12.1303 4.29582 7.07399 11.7302 6.03257 9.88835 11.0528 16.8845 9.75966 5.89412 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.97507 8.38064 9.03536 7.48342 12.1303 4.39605 4.29582 11.7302 7.07399 6.03257 9.88835 16.8845 11.0528 9.75966 5.89412 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 7.75618 4.96411 9.74255 4.97119 10.741 6.41575 9.95212 6.864 7.07775 5.80928 7.08342 6.41423 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 7.75618 9.74255 4.96411 4.97119 6.41575 10.741 9.95212 6.864 5.80928 7.07775 7.08342 6.41423 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 7.75618 4.96411 7.08342 4.97119 10.741 6.41423 9.95212 4.54938 7.34551 5.80928 9.74255 6.41575 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 4.97119 6.41423 10.741 9.95212 4.54938 5.80928 7.34551 9.74255 6.41575 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 9.74255 8.40416 12.3215 9.95212 4.54938 7.67038 5.03957 4.97119 7.75618 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 7.82074 8.4674 10.3915 6.41575 6.01808 4.64838 9.74255 12.3215 8.40416 9.95212 4.54938 5.03957 7.67038 4.97119 7.75618 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 9.74255 7.75618 12.3215 9.95212 8.4674 7.67038 10.3915 4.64838 8.40416 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 7.82074 4.54938 5.03957 6.41575 6.01808 4.97119 9.74255 12.3215 7.75618 9.95212 8.4674 10.3915 7.67038 4.64838 8.40416 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.52463 7.29868 8.60554 6.72323 15.5324 15.5315 14.6259 12.176 8.4051 numMergedOcc 0
11 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 8.52463 8.60554 7.29868 6.72323 15.5324 14.6259 15.5315 12.176 8.4051 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.012 9.41441 15.392 6.72323 13.2433 11.4989 15.4364 5.11617 6.73939 numMergedOcc 0
13 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 14.012 15.392 9.41441 6.72323 13.2433 15.4364 11.4989 5.11617 6.73939 numMergedOcc 0
14 mol 24 unq 2 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 12.176 6.73939 18.673 6.72323 15.5324 11.4989 19.2131 8.52463 9.41441 numMergedOcc 0
15 mol 24 unq 2 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 12.176 18.673 6.73939 6.72323 15.5324 19.2131 11.4989 8.52463 9.41441 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.16347 9.34396 10.8498 6.08585 8.50222 7.55264 6.25843 11.9561 15.5644 16.1048 7.33728 8.87757 numMergedOcc 0
17 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 6.16347 10.8498 9.34396 6.08585 7.55264 8.50222 6.25843 11.9561 16.1048 15.5644 7.33728 8.87757 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 7.06961 6.7117 9.42961 6.88901 6.10456 8.40073 9.42358 9.67482 4.47349 numMergedOcc 0
19 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 7.06961 9.42961 6.7117 6.88901 6.10456 9.42358 8.40073 9.67482 4.47349 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 7.06961 6.7117 9.42961 6.88901 10.1136 10.2427 13.9786 12.0974 5.65185 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 6.48948 5.08437 9.51923 6.65501 7.42446 4.4057 7.06961 9.42961 6.7117 6.88901 10.1136 13.9786 10.2427 12.0974 5.65185 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 7.06961 6.7117 4.47349 6.88901 10.1136 10.2427 5.02887 12.0974 5.65185 numMergedOcc 0
23 mol 98 unq 2 iso 1 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 7.06961 4.47349 6.7117 6.88901 10.1136 5.02887 10.2427 12.0974 5.65185 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 7.06961 9.42961 4.47349 6.88901 5.08437 9.51923 8.40073 4.4057 6.7117 numMergedOcc 0
25 mol 98 unq 2 iso 1 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.06961 4.47349 9.42961 6.88901 5.08437 8.40073 9.51923 4.4057 6.7117 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 7.06961 9.42961 4.47349 6.88901 10.1136 13.9786 5.02887 12.0974 5.65185 numMergedOcc 0
27 mol 98 unq 3 iso 1 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.06961 4.47349 9.42961 6.88901 10.1136 5.02887 13.9786 12.0974 5.65185 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 7.01812 5.80144 8.4128 10.6848 14.8081 7.10378 9.5057 10.1489 10.8375 10.8586 5.42531 7.80975 numMergedOcc 0
29 mol 100 unq 0 iso 1 dist 7.17106 9.60661 11.5403 7.01812 8.4128 5.80144 10.6848 7.10378 14.8081 9.5057 10.1489 10.8586 10.8375 5.42531 7.80975 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 10.6848 14.8081 15.2289 9.5057 10.1489 10.8375 15.1999 5.42531 7.80975 numMergedOcc 0
31 mol 100 unq 1 iso 1 dist 9.35224 9.60661 7.80879 7.01812 10.0456 5.80144 10.6848 15.2289 14.8081 9.5057 10.1489 15.1999 10.8375 5.42531 7.80975 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 9.60661 9.35224 7.80879 7.01812 5.80144 10.0456 10.6848 14.8081 15.2289 9.5057 7.17106 11.5403 8.87654 8.4128 7.10378 numMergedOcc 0
33 mol 100 unq 2 iso 1 dist 9.35224 9.60661 7.80879 7.01812 10.0456 5.80144 10.6848 15.2289 14.8081 9.5057 7.17106 8.87654 11.5403 8.4128 7.10378 numMergedOcc 0
34 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 7.01812 8.4128 10.0456 10.6848 7.10378 15.2289 9.5057 10.1489 10.8586 15.1999 5.42531 7.80975 numMergedOcc 0
35 mol 100 unq 1 iso 1 dist 9.35224 7.17106 8.87654 7.01812 10.0456 8.4128 10.6848 15.2289 7.10378 9.5057 10.1489 15.1999 10.8586 5.42531 7.80975 numMergedOcc 0
36 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 15.3454 21.075 14.8081 9.5057 13.2001 16.3949 10.8375 5.42531 7.80975 numMergedOcc 0
37 mol 100 unq 2 iso 1 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 15.3454 14.8081 21.075 9.5057 13.2001 10.8375 16.3949 5.42531 7.80975 numMergedOcc 0
38 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 15.3454 21.075 14.8081 9.5057 10.5134 17.5254 11.5403 8.4128 7.10378 numMergedOcc 0
39 mol 100 unq 3 iso 1 dist 6.65086 7.47343 8.8807 8.30845 5.80144 12.2861 15.3454 14.8081 21.075 9.5057 10.5134 11.5403 17.5254 8.4128 7.10378 numMergedOcc 0
40 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 15.3454 21.075 15.2289 9.5057 13.2001 16.3949 15.1999 5.42531 7.80975 numMergedOcc 0
41 mol 100 unq 4 iso 1 dist 6.56369 7.47343 12.6515 8.30845 10.0456 12.2861 15.3454 15.2289 21.075 9.5057 13.2001 15.1999 16.3949 5.42531 7.80975 numMergedOcc 0
42 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 15.3454 21.075 15.2289 9.5057 10.5134 17.5254 8.87654 8.4128 7.10378 numMergedOcc 0
43 mol 100 unq 5 iso 1 dist 6.56369 7.47343 12.6515 8.30845 10.0456 12.2861 15.3454 15.2289 21.075 9.5057 10.5134 8.87654 17.5254 8.4128 7.10378 numMergedOcc 0
44 mol 100 unq 6 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 15.3454 21.075 12.6004 9.5057 13.2001 16.3949 11.2306 5.42531 7.80975 numMergedOcc 0
45 mol 100 unq 6 iso 1 dist 9.30209 7.47343 13.887 8.30845 6.70236 12.2861 15.3454 12.6004 21.075 9.5057 13.2001 11.2306 16.3949 5.42531 7.80975 numMergedOcc 0
46 mol 100 unq 7 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 15.3454 21.075 12.6004 9.5057 10.5134 17.5254 8.7812 8.4128 7.10378 numMergedOcc 0
47 mol 100 unq 7 iso 1 dist 9.30209 7.47343 13.887 8.30845 6.70236 12.2861 15.3454 12.6004 21.075 9.5057 10.5134 8.7812 17.5254 8.4128 7.10378 numMergedOcc 0
48 mol 100 unq 4 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 15.3454 14.8081 15.2289 9.5057 13.2001 10.8375 15.1999 5.42531 7.80975 numMergedOcc 0
49 mol 100 unq 4 iso 1 dist 6.56369 6.65086 7.80879 8.30845 10.0456 5.80144 15.3454 15.2289 14.8081 9.5057 13.2001 15.1999 10.8375 5.42531 7.80975 numMergedOcc 0
50 mol 100 unq 5 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 15.3454 14.8081 15.2289 9.5057 10.5134 11.5403 8.87654 8.4128 7.10378 numMergedOcc 0
51 mol 100 unq 5 iso 1 dist 6.56369 6.65086 7.80879 8.30845 10.0456 5.80144 15.3454 15.2289 14.8081 9.5057 10.5134 8.87654 11.5403 8.4128 7.10378 numMergedOcc 0
52 mol 100 unq 6 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 15.3454 14.8081 12.6004 9.5057 13.2001 10.8375 11.2306 5.42531 7.80975 numMergedOcc 0
53 mol 100 unq 6 iso 1 dist 9.30209 6.65086 5.38414 8.30845 6.70236 5.80144 15.3454 12.6004 14.8081 9.5057 13.2001 11.2306 10.8375 5.42531 7.80975 numMergedOcc 0
54 mol 100 unq 7 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 15.3454 14.8081 12.6004 9.5057 10.5134 11.5403 8.7812 8.4128 7.10378 numMergedOcc 0
55 mol 100 unq 7 iso 1 dist 9.30209 6.65086 5.38414 8.30845 6.70236 5.80144 15.3454 12.6004 14.8081 9.5057 10.5134 8.7812 11.5403 8.4128 7.10378 numMergedOcc 0
56 mol 100 unq 6 iso 0 dist 6.56369 9.30209 6.39938 8.30845 10.0456 6.70236 15.3454 15.2289 12.6004 9.5057 13.2001 15.1999 11.2306 5.42531 7.80975 numMergedOcc 0
57 mol 100 unq 6 iso 1 dist 9.30209 6.56369 6.39938 8.30845 6.70236 10.0456 15.3454 12.6004 15.2289 9.5057 13.2001 11.2306 15.1999 5.42531 7.80975 numMergedOcc 0
58 mol 100 unq 7 iso 0 dist 6.56369 9.30209 6.39938 8.30845 10.0456 6.70236 15.3454 15.2289 12.6004 9.5057 10.5134 8.87654 8.7812 8.4128 7.10378 numMergedOcc 0
59 mol 100 unq 7 iso 1 dist 9.30209 6.56369 6.39938 8.30845 6.70236 10.0456 15.3454 12.6004 15.2289 9.5057 10.5134 8.7812 8.87654 8.4128 7.10378 numMergedOcc 0
60 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 7.80532 7.41674 9.87376 5.71679 7.69991 6.23142 6.40575 12.5075 11.3271 6.81259 14.9876 9.94764 numMergedOcc 0
61 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 7.80532 9.87376 7.41674 5.71679 6.23142 7.69991 6.40575 12.5075 6.81259 11.3271 14.9876 9.94764 numMergedOcc 0
62 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 9.87376 10.5252 10.7586 6.40575 9.93925 6.86927 7.11631 4.60632 5.83771 numMergedOcc 0
63 mol 134 unq 1 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 9.87376 10.7586 10.5252 6.40575 9.93925 7.11631 6.86927 4.60632 5.83771 numMergedOcc 0
64 mol 134 unq 2 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 9.87376 10.5252 10.7586 6.40575 6.49416 8.80819 5.00817 5.71679 7.80532 numMergedOcc 0
65 mol 134 unq 2 iso 1 dist 6.37586 8.94367 5.49782 6.23142 5.29786 4.57832 9.87376 10.7586 10.5252 6.40575 6.49416 5.00817 8.80819 5.71679 7.80532 numMergedOcc 0
66 mol 134 unq 3 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 9.87376 10.5252 7.80532 6.40575 9.93925 6.86927 5.79898 4.60632 5.83771 numMergedOcc 0
67 mol 134 unq 3 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 9.87376 7.80532 10.5252 6.40575 9.93925 5.79898 6.86927 4.60632 5.83771 numMergedOcc 0
68 mol 134 unq 3 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 9.87376 10.7586 7.80532 6.40575 9.93925 7.11631 5.79898 4.60632 5.83771 numMergedOcc 0
69 mol 134 unq 3 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 9.87376 7.80532 10.7586 6.40575 9.93925 5.79898 7.11631 4.60632 5.83771 numMergedOcc 0
70 mol 134 unq 4 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 14.9876 10.5252 10.7586 6.40575 14.423 6.86927 7.11631 4.60632 5.83771 numMergedOcc 0
71 mol 134 unq 4 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 14.9876 10.7586 10.5252 6.40575 14.423 7.11631 6.86927 4.60632 5.83771 numMergedOcc 0
72 mol 134 unq 5 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 14.9876 10.5252 10.7586 6.40575 12.5075 8.80819 5.00817 5.71679 7.80532 numMergedOcc 0
73 mol 134 unq 5 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 14.9876 10.7586 10.5252 6.40575 12.5075 5.00817 8.80819 5.71679 7.80532 numMergedOcc 0
74 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.30357 10.4977 12.3086 5.81563 13.0658 11.5017 8.21184 11.6719 13.7169 9.93262 10.8404 9.00416 numMergedOcc 0
75 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.30357 12.3086 10.4977 5.81563 11.5017 13.0658 8.21184 11.6719 9.93262 13.7169 10.8404 9.00416 numMergedOcc 0
76 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 7.30357 10.4977 12.3086 5.52796 12.7005 13.258 5.41575 10.2717 12.5876 16.573 6.14767 8.73722 numMergedOcc 0
77 mol 156 unq 1 iso 1 dist 9.06726 8.34702 6.31306 7.30357 12.3086 10.4977 5.52796 13.258 12.7005 5.41575 10.2717 16.573 12.5876 6.14767 8.73722 numMergedOcc 0
78 mol 156 unq 2 iso 0 dist 8.34702 9.06726 6.31306 8.61587 12.4274 10.9151 5.81563 13.0658 11.5017 5.9976 11.6719 13.7169 9.93262 5.18356 9.00416 numMergedOcc 0
79 mol 156 unq 2 iso 1 dist 9.06726 8.34702 6.31306 8.61587 10.9151 12.4274 5.81563 11.5017 13.0658 5.9976 11.6719 9.93262 13.7169 5.18356 9.00416 numMergedOcc 0
80 mol 156 unq 3 iso 0 dist 8.34702 9.06726 6.31306 8.61587 12.4274 10.9151 5.52796 12.7005 13.258 6.86566 10.2717 12.5876 16.573 12.212 8.73722 numMergedOcc 0
81 mol 156 unq 3 iso 1 dist 9.06726 8.34702 6.31306 8.61587 10.9151 12.4274 5.52796 13.258 12.7005 6.86566 10.2717 16.573 12.5876 12.212 8.73722 numMergedOcc 0
82 mol 156 unq 4 iso 0 dist 8.34702 8.33171 6.56229 7.30357 10.4977 7.79535 5.81563 13.0658 10.0063 8.21184 11.6719 13.7169 7.53284 10.8404 9.00416 numMergedOcc 0
83 mol 156 unq 4 iso 1 dist 8.33171 8.34702 6.56229 7.30357 7.79535 10.4977 5.81563 10.0063 13.0658 8.21184 11.6719 7.53284 13.7169 10.8404 9.00416 numMergedOcc 0
84 mol 156 unq 5 iso 0 dist 8.34702 8.33171 6.56229 7.30357 10.4977 7.79535 5.52796 12.7005 10.5287 5.41575 10.2717 12.5876 12.6998 6.14767 8.73722 numMergedOcc 0
85 mol 156 unq 5 iso 1 dist 8.33171 8.34702 6.56229 7.30357 7.79535 10.4977 5.52796 10.5287 12.7005 5.41575 10.2717 12.6998 12.5876 6.14767 8.73722 numMergedOcc 0
86 mol 156 unq 6 iso 0 dist 8.34702 8.33171 6.56229 8.61587 12.4274 6.98125 5.81563 13.0658 10.0063 5.9976 11.6719 13.7169 7.53284 5.18356 9.00416 numMergedOcc 0
87 mol 156 unq 6 iso 1 dist 8.33171 8.34702 6.56229 8.61587 6.98125 12.4274 5.81563 10.0063 13.0658 5.9976 11.6719 7.53284 13.7169 5.18356 9.00416 numMergedOcc 0
88 mol 156 unq 7 iso 0 dist 8.34702 8.33171 6.56229 8.61587 12.4274 6.98125 5.52796 12.7005 10.5287 6.86566 10.2717 12.5876 12.6998 12.212 8.73722 numMergedOcc 0
89 mol 156 unq 7 iso 1 dist 8.33171 8.34702 6.56229 8.61587 6.98125 12.4274 5.52796 10.5287 12.7005 6.86566 10.2717 12.6998 12.5876 12.212 8.73722 numMergedOcc 0
90 mol 156 unq 8 iso 0 dist 7.44554 9.83699 8.38403 9.4013 5.71511 5.80008 5.4555 9.44367 10.3379 8.37434 8.94056 5.56175 11.2719 6.13574 7.90267 numMergedOcc 0
91 mol 156 unq 8 iso 1 dist 9.83699 7.44554 8.38403 9.4013 5.80008 5.71511 5.4555 10.3379 9.44367 8.37434 8.94056 11.2719 5.56175 6.13574 7.90267 numMergedOcc 0
92 mol 156 unq 9 iso 0 dist 8.94056 9.83699 11.2719 9.4013 6.13574 5.80008 5.4555 7.90267 10.3379 8.37434 7.44554 5.56175 8.38403 5.71511 9.44367 numMergedOcc 0
93 mol 156 unq 9 iso 1 dist 9.83699 8.94056 11.2719 9.4013 5.80008 6.13574 5.4555 10.3379 7.90267 8.37434 7.44554 8.38403 5.56175 5.71511 9.44367 numMergedOcc 0
94 mol 156 unq 4 iso 0 dist 9.06726 8.33171 5.64555 7.30357 12.3086 7.79535 5.81563 11.5017 10.0063 8.21184 11.6719 9.93262 7.53284 10.8404 9.00416 numMergedOcc 0
95 mol 156 unq 4 iso 1 dist 8.33171 9.06726 5.64555 7.30357 7.79535 12.3086 5.81563 10.0063 11.5017 8.21184 11.6719 7.53284 9.93262 10.8404 9.00416 numMergedOcc 0
96 mol 156 unq 5 iso 0 dist 9.06726 8.33171 5.64555 7.30357 12.3086 7.79535 5.52796 13.258 10.5287 5.41575 10.2717 16.573 12.6998 6.14767 8.73722 numMergedOcc 0
97 mol 156 unq 5 iso 1 dist 8.33171 9.06726 5.64555 7.30357 7.79535 12.3086 5.52796 10.5287 13.258 5.41575 10.2717 12.6998 16.573 6.14767 8.73722 numMergedOcc 0
98 mol 156 unq 6 iso 0 dist 9.06726 8.33171 5.64555 8.61587 10.9151 6.98125 5.81563 11.5017 10.0063 5.9976 11.6719 9.93262 7.53284 5.18356 9.00416 numMergedOcc 0
99 mol 156 unq 6 iso 1 dist 8.33171 9.06726 5.64555 8.61587 6.98125 10.9151 5.81563 10.0063 11.5017 5.9976 11.6719 7.53284 9.93262 5.18356 9.00416 numMergedOcc 0
100 mol 156 unq 7 iso 0 dist 9.06726 8.33171 5.64555 8.61587 10.9151 6.98125 5.52796 13.258 10.5287 6.86566 10.2717 16.573 12.6998 12.212 8.73722 numMergedOcc 0
101 mol 156 unq 7 iso 1 dist 8.33171 9.06726 5.64555 8.61587 6.98125 10.9151 5.52796 10.5287 13.258 6.86566 10.2717 12.6998 16.573 12.212 8.73722 numMergedOcc 0
102 mol 181 unq 0 iso 0 dist 5.98885 9.09537 10.1912 9.72611 5.6044 12.9468 12.7358 11.602 14.8662 7.22883 15.333 11.9017 17.8118 6.29863 5.9176 numMergedOcc 0
103 mol 181 unq 0 iso 1 dist 9.09537 5.98885 10.1912 9.72611 12.9468 5.6044 12.7358 14.8662 11.602 7.22883 15.333 17.8118 11.9017 6.29863 5.9176 numMergedOcc 0
104 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 12.2164 12.4878 16.4314 7.32087 10.7062 13.2049 12.8522 7.81713 6.46704 numMergedOcc 0
105 mol 181 unq 1 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 12.2164 16.4314 12.4878 7.32087 10.7062 12.8522 13.2049 7.81713 6.46704 numMergedOcc 0
106 mol 181 unq 2 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 5.77299 10.6908 11.3325 8.86197 10.7062 13.2049 12.8522 7.81713 6.59025 numMergedOcc 0
107 mol 181 unq 2 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 5.77299 11.3325 10.6908 8.86197 10.7062 12.8522 13.2049 7.81713 6.59025 numMergedOcc 0
108 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 9.85289 6.20558 11.4459 5.29529 8.52587 11.6126 6.88827 11.3168 11.3308 14.9562 6.16703 6.39866 numMergedOcc 0
109 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 9.85289 11.4459 6.20558 5.29529 11.6126 8.52587 6.88827 11.3168 14.9562 11.3308 6.16703 6.39866 numMergedOcc 0
