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 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 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 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 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 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 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 8.4674 4.51865 5.80928 8.40416 9.74255 7.08342 4.64838 6.41575 6.41423 9.95212 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 4.64838 6.41423 6.41575 9.95212 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 8.4674 4.54938 7.67038 6.41575 4.64838 4.97119 9.74255 8.40416 7.75618 9.95212 numMergedOcc 0
9 mol 19 unq 3 iso 1 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 9.74255 7.75618 8.40416 9.95212 numMergedOcc 0
10 mol 19 unq 4 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 9.74255 8.40416 12.3215 9.95212 numMergedOcc 0
11 mol 19 unq 4 iso 1 dist 7.82074 8.4674 10.3915 6.41575 6.01808 4.64838 9.74255 12.3215 8.40416 9.95212 numMergedOcc 0
12 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.75618 9.74255 7.08342 4.97119 6.41575 6.41423 9.95212 numMergedOcc 0
13 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 4.97119 6.41423 6.41575 9.95212 numMergedOcc 0
14 mol 19 unq 4 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 9.74255 7.75618 12.3215 9.95212 numMergedOcc 0
15 mol 19 unq 4 iso 1 dist 7.82074 4.54938 5.03957 6.41575 6.01808 4.97119 9.74255 12.3215 7.75618 9.95212 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 4.51865 6.864 7.67038 6.41423 4.64838 4.97119 7.08342 8.40416 7.75618 9.95212 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 7.08342 7.75618 8.40416 9.95212 numMergedOcc 0
18 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 4.32034 7.33768 12.9284 8.00171 numMergedOcc 0
19 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 4.32034 12.9284 7.33768 8.00171 numMergedOcc 0
20 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 12.2662 12.2059 17.592 5.95834 numMergedOcc 0
21 mol 24 unq 1 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 12.2662 17.592 12.2059 5.95834 numMergedOcc 0
22 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.67951 9.01567 13.4393 4.2121 numMergedOcc 0
23 mol 24 unq 2 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 8.67951 13.4393 9.01567 4.2121 numMergedOcc 0
24 mol 24 unq 3 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.52463 7.29868 8.60554 6.72323 numMergedOcc 0
25 mol 24 unq 3 iso 1 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 8.52463 8.60554 7.29868 6.72323 numMergedOcc 0
26 mol 24 unq 4 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.012 9.41441 15.392 6.72323 numMergedOcc 0
27 mol 24 unq 4 iso 1 dist 8.38394 8.86116 6.44287 8.60554 12.3994 8.52463 14.012 15.392 9.41441 6.72323 numMergedOcc 0
28 mol 24 unq 5 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 12.176 6.73939 18.673 6.72323 numMergedOcc 0
29 mol 24 unq 5 iso 1 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 12.176 18.673 6.73939 6.72323 numMergedOcc 0
30 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 numMergedOcc 0
31 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 numMergedOcc 0
32 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 6.29906 12.1382 10.2755 8.87464 numMergedOcc 0
33 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 6.29906 10.2755 12.1382 8.87464 numMergedOcc 0
34 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 6.29906 12.1382 10.8139 8.87464 numMergedOcc 0
35 mol 73 unq 1 iso 1 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 6.29906 10.8139 12.1382 8.87464 numMergedOcc 0
36 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 6.29906 10.2755 10.8139 8.87464 numMergedOcc 0
37 mol 73 unq 1 iso 1 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 6.29906 10.8139 10.2755 8.87464 numMergedOcc 0
38 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 9.82915 9.29301 13.5116 10.4987 14.4725 17.5738 9.66222 numMergedOcc 0
39 mol 85 unq 0 iso 1 dist 7.47541 7.97049 6.9948 9.82915 13.5116 9.29301 10.4987 17.5738 14.4725 9.66222 numMergedOcc 0
40 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 numMergedOcc 0
41 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 numMergedOcc 0
42 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 7.06961 6.7117 4.47349 6.88901 numMergedOcc 0
43 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 7.06961 4.47349 6.7117 6.88901 numMergedOcc 0
44 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 6.65501 7.42446 9.67482 7.06961 9.42961 4.47349 6.88901 numMergedOcc 0
45 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.06961 4.47349 9.42961 6.88901 numMergedOcc 0
46 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 numMergedOcc 0
47 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 numMergedOcc 0
48 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 numMergedOcc 0
49 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 numMergedOcc 0
50 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 numMergedOcc 0
51 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 numMergedOcc 0
52 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 numMergedOcc 0
53 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 numMergedOcc 0
54 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 15.3454 21.075 15.2289 9.5057 numMergedOcc 0
55 mol 100 unq 3 iso 1 dist 6.56369 7.47343 12.6515 8.30845 10.0456 12.2861 15.3454 15.2289 21.075 9.5057 numMergedOcc 0
56 mol 100 unq 4 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 15.3454 21.075 12.6004 9.5057 numMergedOcc 0
57 mol 100 unq 4 iso 1 dist 9.30209 7.47343 13.887 8.30845 6.70236 12.2861 15.3454 12.6004 21.075 9.5057 numMergedOcc 0
58 mol 100 unq 3 iso 0 dist 6.65086 6.56369 7.80879 8.30845 5.80144 10.0456 15.3454 14.8081 15.2289 9.5057 numMergedOcc 0
59 mol 100 unq 3 iso 1 dist 6.56369 6.65086 7.80879 8.30845 10.0456 5.80144 15.3454 15.2289 14.8081 9.5057 numMergedOcc 0
60 mol 100 unq 4 iso 0 dist 6.65086 9.30209 5.38414 8.30845 5.80144 6.70236 15.3454 14.8081 12.6004 9.5057 numMergedOcc 0
61 mol 100 unq 4 iso 1 dist 9.30209 6.65086 5.38414 8.30845 6.70236 5.80144 15.3454 12.6004 14.8081 9.5057 numMergedOcc 0
62 mol 100 unq 4 iso 0 dist 6.56369 9.30209 6.39938 8.30845 10.0456 6.70236 15.3454 15.2289 12.6004 9.5057 numMergedOcc 0
63 mol 100 unq 4 iso 1 dist 9.30209 6.56369 6.39938 8.30845 6.70236 10.0456 15.3454 12.6004 15.2289 9.5057 numMergedOcc 0
64 mol 129 unq 0 iso 0 dist 9.61051 5.83384 9.05135 6.28565 6.30169 4.55551 10.7293 16.0242 9.36851 9.73158 numMergedOcc 0
65 mol 129 unq 0 iso 1 dist 5.83384 9.61051 9.05135 6.28565 4.55551 6.30169 10.7293 9.36851 16.0242 9.73158 numMergedOcc 0
66 mol 129 unq 1 iso 0 dist 9.61051 5.83384 9.05135 6.28565 6.30169 4.55551 7.29399 13.4182 4.97175 7.59327 numMergedOcc 0
67 mol 129 unq 1 iso 1 dist 5.83384 9.61051 9.05135 6.28565 4.55551 6.30169 7.29399 4.97175 13.4182 7.59327 numMergedOcc 0
68 mol 134 unq 0 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 7.41674 5.83771 7.80532 6.40575 numMergedOcc 0
69 mol 134 unq 0 iso 1 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 7.41674 7.80532 5.83771 6.40575 numMergedOcc 0
70 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 7.80532 7.41674 9.87376 5.71679 7.69991 6.23142 6.40575 numMergedOcc 0
71 mol 134 unq 1 iso 1 dist 6.49416 6.54501 5.00526 7.80532 9.87376 7.41674 5.71679 6.23142 7.69991 6.40575 numMergedOcc 0
72 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 numMergedOcc 0
73 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 numMergedOcc 0
74 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 9.87376 10.5252 7.80532 6.40575 numMergedOcc 0
75 mol 134 unq 2 iso 1 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 9.87376 7.80532 10.5252 6.40575 numMergedOcc 0
76 mol 134 unq 2 iso 0 dist 6.37586 6.49416 5.00817 6.23142 5.29786 5.71679 9.87376 10.7586 7.80532 6.40575 numMergedOcc 0
77 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 9.87376 7.80532 10.7586 6.40575 numMergedOcc 0
78 mol 134 unq 3 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 14.9876 10.5252 10.7586 6.40575 numMergedOcc 0
79 mol 134 unq 3 iso 1 dist 9.71307 9.86662 5.49782 9.94764 5.29786 4.57832 14.9876 10.7586 10.5252 6.40575 numMergedOcc 0
80 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 numMergedOcc 0
81 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 numMergedOcc 0
82 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 numMergedOcc 0
83 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 numMergedOcc 0
84 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 numMergedOcc 0
85 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 numMergedOcc 0
86 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 numMergedOcc 0
87 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 numMergedOcc 0
88 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 numMergedOcc 0
89 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 numMergedOcc 0
90 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 numMergedOcc 0
91 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 numMergedOcc 0
92 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 numMergedOcc 0
93 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 numMergedOcc 0
94 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 numMergedOcc 0
95 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 numMergedOcc 0
96 mol 156 unq 8 iso 0 dist 7.44554 8.94056 5.56175 9.4013 5.71511 6.13574 5.4555 9.44367 7.90267 8.37434 numMergedOcc 0
97 mol 156 unq 8 iso 1 dist 8.94056 7.44554 5.56175 9.4013 6.13574 5.71511 5.4555 7.90267 9.44367 8.37434 numMergedOcc 0
98 mol 156 unq 9 iso 0 dist 7.44554 9.83699 8.38403 9.4013 5.71511 5.80008 5.4555 9.44367 10.3379 8.37434 numMergedOcc 0
99 mol 156 unq 9 iso 1 dist 9.83699 7.44554 8.38403 9.4013 5.80008 5.71511 5.4555 10.3379 9.44367 8.37434 numMergedOcc 0
100 mol 156 unq 10 iso 0 dist 7.66148 8.94056 10.1658 7.90267 6.03934 5.4555 6.13574 11.1147 9.4013 8.37434 numMergedOcc 0
101 mol 156 unq 10 iso 1 dist 8.94056 7.66148 10.1658 7.90267 5.4555 6.03934 6.13574 9.4013 11.1147 8.37434 numMergedOcc 0
102 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 numMergedOcc 0
103 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 numMergedOcc 0
104 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 numMergedOcc 0
105 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 numMergedOcc 0
106 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 numMergedOcc 0
107 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 numMergedOcc 0
108 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 numMergedOcc 0
109 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 numMergedOcc 0
110 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 numMergedOcc 0
111 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 numMergedOcc 0
112 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 4.43096 12.4878 6.46704 7.32087 numMergedOcc 0
113 mol 181 unq 0 iso 1 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 4.43096 6.46704 12.4878 7.32087 numMergedOcc 0
114 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 8.04639 10.6908 6.59025 8.86197 numMergedOcc 0
115 mol 181 unq 1 iso 1 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 8.04639 6.59025 10.6908 8.86197 numMergedOcc 0
116 mol 181 unq 2 iso 0 dist 5.98885 9.09537 10.1912 9.72611 5.6044 12.9468 12.7358 11.602 14.8662 7.22883 numMergedOcc 0
117 mol 181 unq 2 iso 1 dist 9.09537 5.98885 10.1912 9.72611 12.9468 5.6044 12.7358 14.8662 11.602 7.22883 numMergedOcc 0
118 mol 181 unq 3 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 12.2164 12.4878 16.4314 7.32087 numMergedOcc 0
119 mol 181 unq 3 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 12.2164 16.4314 12.4878 7.32087 numMergedOcc 0
120 mol 181 unq 4 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 5.77299 10.6908 11.3325 8.86197 numMergedOcc 0
121 mol 181 unq 4 iso 1 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 5.77299 11.3325 10.6908 8.86197 numMergedOcc 0
122 mol 181 unq 5 iso 0 dist 7.81386 7.63312 8.85576 5.94469 7.77758 12.5387 9.69409 14.08 15.9489 9.92471 numMergedOcc 0
123 mol 181 unq 5 iso 1 dist 7.63312 7.81386 8.85576 5.94469 12.5387 7.77758 9.69409 15.9489 14.08 9.92471 numMergedOcc 0
124 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 12.717 12.0486 16.9245 6.60053 numMergedOcc 0
125 mol 192 unq 0 iso 1 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 12.717 16.9245 12.0486 6.60053 numMergedOcc 0
126 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 8.77999 8.49529 11.7523 14.8459 12.708 18.1003 9.36796 numMergedOcc 0
127 mol 192 unq 1 iso 1 dist 7.00794 5.59424 5.76246 8.77999 11.7523 8.49529 14.8459 18.1003 12.708 9.36796 numMergedOcc 0
128 mol 249 unq 0 iso 0 dist 7.57994 6.18582 5.01979 5.48118 10.7772 7.04666 9.0676 16.0282 12.4721 5.9627 numMergedOcc 0
129 mol 249 unq 0 iso 1 dist 6.18582 7.57994 5.01979 5.48118 7.04666 10.7772 9.0676 12.4721 16.0282 5.9627 numMergedOcc 0
130 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 numMergedOcc 0
131 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 numMergedOcc 0
