0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 6.26831 6.34883 9.19662 7.40865 9.11323 9.46298 5.73813 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 6.26831 9.19662 6.34883 7.40865 9.46298 9.11323 5.73813 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 6.92532 12.3486 5.18512 7.75618 4.96411 9.74255 13.9675 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 7.20519 7.34551 6.92532 5.18512 12.3486 7.75618 9.74255 4.96411 13.9675 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 7.20519 6.864 7.07775 6.92532 12.3486 9.47529 7.75618 4.96411 7.08342 13.9675 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 6.864 7.20519 7.07775 6.92532 9.47529 12.3486 7.75618 7.08342 4.96411 13.9675 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 6.92532 5.18512 9.47529 7.75618 9.74255 7.08342 13.9675 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 6.92532 9.47529 5.18512 7.75618 7.08342 9.74255 13.9675 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 6.60423 6.00575 5.97304 9.41441 6.66749 14.012 11.9395 numMergedOcc 0
9 mol 24 unq 0 iso 1 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 9.41441 14.012 6.66749 11.9395 numMergedOcc 0
10 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 8.60554 8.52463 12.3994 6.99746 numMergedOcc 0
11 mol 24 unq 1 iso 1 dist 8.38394 8.86116 6.44287 6.72502 6.59374 6.58998 8.60554 12.3994 8.52463 6.99746 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 8.44664 10.971 5.30734 7.6844 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 8.38394 8.86116 6.44287 6.72502 6.59374 6.58998 8.44664 5.30734 10.971 7.6844 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 9.44691 13.4893 12.505 7.05541 numMergedOcc 0
15 mol 24 unq 3 iso 1 dist 8.38394 8.86116 6.44287 6.72502 6.59374 6.58998 9.44691 12.505 13.4893 7.05541 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.90155 9.36158 10.1525 6.16347 9.34396 10.8498 11.0508 numMergedOcc 0
17 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 6.90155 10.1525 9.36158 6.16347 10.8498 9.34396 11.0508 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 6.90155 9.36158 10.1525 7.92503 6.11127 5.30154 6.61233 numMergedOcc 0
19 mol 25 unq 1 iso 1 dist 7.17969 7.57578 4.33106 6.90155 10.1525 9.36158 7.92503 5.30154 6.11127 6.61233 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 7.31767 6.03987 4.51512 5.81959 7.63409 8.4666 8.6653 5.64303 5.82503 6.61233 numMergedOcc 0
21 mol 25 unq 2 iso 1 dist 6.03987 7.31767 4.51512 5.81959 8.4666 7.63409 8.6653 5.82503 5.64303 6.61233 numMergedOcc 0
22 mol 52 unq 0 iso 0 dist 9.80098 7.34143 9.162 9.66501 4.88603 12.277 6.31696 11.6682 6.66056 12.6605 numMergedOcc 0
23 mol 52 unq 0 iso 1 dist 7.34143 9.80098 9.162 9.66501 12.277 4.88603 6.31696 6.66056 11.6682 12.6605 numMergedOcc 0
24 mol 59 unq 0 iso 0 dist 7.17396 9.21998 6.05545 8.64015 11.0904 12.9211 8.08618 6.90592 7.6021 5.9995 numMergedOcc 0
25 mol 59 unq 0 iso 1 dist 9.21998 7.17396 6.05545 8.64015 12.9211 11.0904 8.08618 7.6021 6.90592 5.9995 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 7.95579 6.19965 4.26409 7.33422 6.82174 7.91778 7.54568 10.2865 8.09967 6.85215 numMergedOcc 0
27 mol 85 unq 0 iso 1 dist 6.19965 7.95579 4.26409 7.33422 7.91778 6.82174 7.54568 8.09967 10.2865 6.85215 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 7.95579 7.66905 10.7229 7.33422 6.82174 10.121 7.54568 10.2865 4.65335 6.85215 numMergedOcc 0
29 mol 85 unq 1 iso 1 dist 7.66905 7.95579 10.7229 7.33422 10.121 6.82174 7.54568 4.65335 10.2865 6.85215 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.33422 7.91778 10.121 7.54568 8.09967 4.65335 6.85215 numMergedOcc 0
31 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.33422 10.121 7.91778 7.54568 4.65335 8.09967 6.85215 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 6.61823 6.08245 7.24315 8.91313 17.5889 13.3881 14.4996 numMergedOcc 0
33 mol 92 unq 0 iso 1 dist 9.64443 9.33898 13.1316 6.61823 7.24315 6.08245 8.91313 13.3881 17.5889 14.4996 numMergedOcc 0
34 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 6.61823 6.08245 7.24315 8.16392 10.8304 5.90097 6.90324 numMergedOcc 0
35 mol 92 unq 1 iso 1 dist 9.64443 9.33898 13.1316 6.61823 7.24315 6.08245 8.16392 5.90097 10.8304 6.90324 numMergedOcc 0
36 mol 92 unq 2 iso 0 dist 9.33898 9.64443 13.1316 6.49956 6.86728 12.163 8.91313 17.5889 13.3881 12.0757 numMergedOcc 0
37 mol 92 unq 2 iso 1 dist 9.64443 9.33898 13.1316 6.49956 12.163 6.86728 8.91313 13.3881 17.5889 12.0757 numMergedOcc 0
38 mol 92 unq 3 iso 0 dist 9.33898 9.64443 13.1316 6.49956 6.86728 12.163 8.16392 10.8304 5.90097 7.64508 numMergedOcc 0
39 mol 92 unq 3 iso 1 dist 9.64443 9.33898 13.1316 6.49956 12.163 6.86728 8.16392 5.90097 10.8304 7.64508 numMergedOcc 0
40 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.26086 7.32662 13.4985 6.65501 4.4057 7.42446 11.2092 numMergedOcc 0
41 mol 98 unq 0 iso 1 dist 6.48948 5.08437 9.51923 7.26086 13.4985 7.32662 6.65501 7.42446 4.4057 11.2092 numMergedOcc 0
42 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 7.26086 7.32662 6.934 6.65501 4.4057 9.67482 11.2092 numMergedOcc 0
43 mol 98 unq 1 iso 1 dist 6.10456 5.08437 8.40073 7.26086 6.934 7.32662 6.65501 9.67482 4.4057 11.2092 numMergedOcc 0
44 mol 98 unq 1 iso 0 dist 6.48948 6.10456 9.42358 7.26086 13.4985 6.934 6.65501 7.42446 9.67482 11.2092 numMergedOcc 0
45 mol 98 unq 1 iso 1 dist 6.10456 6.48948 9.42358 7.26086 6.934 13.4985 6.65501 9.67482 7.42446 11.2092 numMergedOcc 0
46 mol 100 unq 0 iso 0 dist 6.45675 7.47343 5.33144 9.00544 11.8512 14.9392 7.38135 7.11701 11.2312 5.46256 numMergedOcc 0
47 mol 100 unq 0 iso 1 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 7.38135 11.2312 7.11701 5.46256 numMergedOcc 0
48 mol 100 unq 1 iso 0 dist 6.45675 7.47343 5.33144 7.12017 9.52882 12.6602 7.38135 7.11701 11.2312 9.38256 numMergedOcc 0
49 mol 100 unq 1 iso 1 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 7.38135 11.2312 7.11701 9.38256 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 6.45675 8.86688 9.71151 9.00544 11.8512 9.01214 7.38135 7.11701 7.79768 5.46256 numMergedOcc 0
51 mol 100 unq 2 iso 1 dist 8.86688 6.45675 9.71151 9.00544 9.01214 11.8512 7.38135 7.79768 7.11701 5.46256 numMergedOcc 0
52 mol 100 unq 3 iso 0 dist 6.45675 8.86688 9.71151 7.12017 9.52882 14.8674 7.38135 7.11701 7.79768 9.38256 numMergedOcc 0
53 mol 100 unq 3 iso 1 dist 8.86688 6.45675 9.71151 7.12017 14.8674 9.52882 7.38135 7.79768 7.11701 9.38256 numMergedOcc 0
54 mol 100 unq 2 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 7.38135 11.2312 7.79768 5.46256 numMergedOcc 0
55 mol 100 unq 2 iso 1 dist 8.86688 7.47343 10.1407 9.00544 9.01214 14.9392 7.38135 7.79768 11.2312 5.46256 numMergedOcc 0
56 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 7.38135 11.2312 7.79768 9.38256 numMergedOcc 0
57 mol 100 unq 3 iso 1 dist 8.86688 7.47343 10.1407 7.12017 14.8674 12.6602 7.38135 7.79768 11.2312 9.38256 numMergedOcc 0
58 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.53031 5.35679 8.46636 7.80532 7.41674 9.87376 8.98004 numMergedOcc 0
59 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 5.53031 8.46636 5.35679 7.80532 9.87376 7.41674 8.98004 numMergedOcc 0
60 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.73169 5.71107 11.2067 7.30357 10.4977 12.3086 8.40261 numMergedOcc 0
61 mol 156 unq 0 iso 1 dist 9.06726 8.34702 6.31306 7.73169 11.2067 5.71107 7.30357 12.3086 10.4977 8.40261 numMergedOcc 0
62 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 7.73169 5.71107 11.2067 8.61587 12.4274 10.9151 12.8796 numMergedOcc 0
63 mol 156 unq 1 iso 1 dist 9.06726 8.34702 6.31306 7.73169 11.2067 5.71107 8.61587 10.9151 12.4274 12.8796 numMergedOcc 0
64 mol 156 unq 2 iso 0 dist 8.34702 9.06726 6.31306 5.38091 10.7023 9.00862 7.30357 10.4977 12.3086 12.4049 numMergedOcc 0
65 mol 156 unq 2 iso 1 dist 9.06726 8.34702 6.31306 5.38091 9.00862 10.7023 7.30357 12.3086 10.4977 12.4049 numMergedOcc 0
66 mol 156 unq 3 iso 0 dist 8.34702 9.06726 6.31306 5.38091 10.7023 9.00862 8.61587 12.4274 10.9151 11.7015 numMergedOcc 0
67 mol 156 unq 3 iso 1 dist 9.06726 8.34702 6.31306 5.38091 9.00862 10.7023 8.61587 10.9151 12.4274 11.7015 numMergedOcc 0
68 mol 156 unq 4 iso 0 dist 8.34702 8.33171 6.56229 7.73169 5.71107 9.44399 7.30357 10.4977 7.79535 8.40261 numMergedOcc 0
69 mol 156 unq 4 iso 1 dist 8.33171 8.34702 6.56229 7.73169 9.44399 5.71107 7.30357 7.79535 10.4977 8.40261 numMergedOcc 0
70 mol 156 unq 5 iso 0 dist 8.34702 8.33171 6.56229 7.73169 5.71107 9.44399 8.61587 12.4274 6.98125 12.8796 numMergedOcc 0
71 mol 156 unq 5 iso 1 dist 8.33171 8.34702 6.56229 7.73169 9.44399 5.71107 8.61587 6.98125 12.4274 12.8796 numMergedOcc 0
72 mol 156 unq 6 iso 0 dist 8.34702 8.33171 6.56229 5.38091 10.7023 11.1271 7.30357 10.4977 7.79535 12.4049 numMergedOcc 0
73 mol 156 unq 6 iso 1 dist 8.33171 8.34702 6.56229 5.38091 11.1271 10.7023 7.30357 7.79535 10.4977 12.4049 numMergedOcc 0
74 mol 156 unq 7 iso 0 dist 8.34702 8.33171 6.56229 5.38091 10.7023 11.1271 8.61587 12.4274 6.98125 11.7015 numMergedOcc 0
75 mol 156 unq 7 iso 1 dist 8.33171 8.34702 6.56229 5.38091 11.1271 10.7023 8.61587 6.98125 12.4274 11.7015 numMergedOcc 0
76 mol 156 unq 4 iso 0 dist 9.06726 8.33171 5.64555 7.73169 11.2067 9.44399 7.30357 12.3086 7.79535 8.40261 numMergedOcc 0
77 mol 156 unq 4 iso 1 dist 8.33171 9.06726 5.64555 7.73169 9.44399 11.2067 7.30357 7.79535 12.3086 8.40261 numMergedOcc 0
78 mol 156 unq 5 iso 0 dist 9.06726 8.33171 5.64555 7.73169 11.2067 9.44399 8.61587 10.9151 6.98125 12.8796 numMergedOcc 0
79 mol 156 unq 5 iso 1 dist 8.33171 9.06726 5.64555 7.73169 9.44399 11.2067 8.61587 6.98125 10.9151 12.8796 numMergedOcc 0
80 mol 156 unq 6 iso 0 dist 9.06726 8.33171 5.64555 5.38091 9.00862 11.1271 7.30357 12.3086 7.79535 12.4049 numMergedOcc 0
81 mol 156 unq 6 iso 1 dist 8.33171 9.06726 5.64555 5.38091 11.1271 9.00862 7.30357 7.79535 12.3086 12.4049 numMergedOcc 0
82 mol 156 unq 7 iso 0 dist 9.06726 8.33171 5.64555 5.38091 9.00862 11.1271 8.61587 10.9151 6.98125 11.7015 numMergedOcc 0
83 mol 156 unq 7 iso 1 dist 8.33171 9.06726 5.64555 5.38091 11.1271 9.00862 8.61587 6.98125 10.9151 11.7015 numMergedOcc 0
84 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.51749 13.8722 5.93488 8.90963 8.91338 9.81073 13.0913 numMergedOcc 0
85 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.51749 5.93488 13.8722 8.90963 9.81073 8.91338 13.0913 numMergedOcc 0
86 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 6.51749 13.8722 7.64267 8.90963 8.91338 9.34211 13.0913 numMergedOcc 0
87 mol 181 unq 1 iso 1 dist 9.15386 9.1374 12.1628 6.51749 7.64267 13.8722 8.90963 9.34211 8.91338 13.0913 numMergedOcc 0
88 mol 181 unq 1 iso 0 dist 5.98885 9.15386 5.16002 6.51749 5.93488 7.64267 8.90963 9.81073 9.34211 13.0913 numMergedOcc 0
89 mol 181 unq 1 iso 1 dist 9.15386 5.98885 5.16002 6.51749 7.64267 5.93488 8.90963 9.34211 9.81073 13.0913 numMergedOcc 0
90 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 7.24199 7.0057 8.51255 8.77999 8.49529 11.7523 3.86183 numMergedOcc 0
91 mol 192 unq 0 iso 1 dist 7.00794 5.59424 5.76246 7.24199 8.51255 7.0057 8.77999 11.7523 8.49529 3.86183 numMergedOcc 0
92 mol 204 unq 0 iso 0 dist 7.10633 8.51516 10.8344 6.85441 8.17229 5.74707 9.68728 7.67571 10.8573 5.42649 numMergedOcc 0
93 mol 204 unq 0 iso 1 dist 8.51516 7.10633 10.8344 6.85441 5.74707 8.17229 9.68728 10.8573 7.67571 5.42649 numMergedOcc 0
94 mol 206 unq 0 iso 0 dist 8.02137 9.774 10.4 8.70977 6.3188 9.9412 7.75885 12.7604 6.45859 10.7023 numMergedOcc 0
95 mol 206 unq 0 iso 1 dist 9.774 8.02137 10.4 8.70977 9.9412 6.3188 7.75885 6.45859 12.7604 10.7023 numMergedOcc 0
96 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 8.48341 6.03524 7.60395 9.07471 7.75466 13.3447 7.92402 numMergedOcc 0
97 mol 222 unq 0 iso 1 dist 7.54212 6.00706 6.8425 8.48341 7.60395 6.03524 9.07471 13.3447 7.75466 7.92402 numMergedOcc 0
98 mol 223 unq 0 iso 0 dist 8.77153 8.6166 8.51421 6.13306 6.52273 7.12885 7.48463 11.8654 6.05524 6.80048 numMergedOcc 0
99 mol 223 unq 0 iso 1 dist 8.6166 8.77153 8.51421 6.13306 7.12885 6.52273 7.48463 6.05524 11.8654 6.80048 numMergedOcc 0
100 mol 224 unq 0 iso 0 dist 9.40098 6.61986 9.54151 8.37597 6.77927 4.59567 9.51597 4.98993 12.4692 10.1672 numMergedOcc 0
101 mol 224 unq 0 iso 1 dist 6.61986 9.40098 9.54151 8.37597 4.59567 6.77927 9.51597 12.4692 4.98993 10.1672 numMergedOcc 0
102 mol 227 unq 0 iso 0 dist 9.34734 7.22101 6.99063 8.03442 10.2525 10.5813 7.43071 6.00424 6.35849 12.8075 numMergedOcc 0
103 mol 227 unq 0 iso 1 dist 7.22101 9.34734 6.99063 8.03442 10.5813 10.2525 7.43071 6.35849 6.00424 12.8075 numMergedOcc 0
104 mol 227 unq 1 iso 0 dist 9.34734 7.22101 6.99063 8.03442 10.2525 10.5813 5.41321 10.7656 10.9607 4.59123 numMergedOcc 0
105 mol 227 unq 1 iso 1 dist 7.22101 9.34734 6.99063 8.03442 10.5813 10.2525 5.41321 10.9607 10.7656 4.59123 numMergedOcc 0
106 mol 227 unq 2 iso 0 dist 9.34734 8.65997 7.60506 8.03442 10.2525 7.22396 7.43071 6.00424 10.204 12.8075 numMergedOcc 0
107 mol 227 unq 2 iso 1 dist 8.65997 9.34734 7.60506 8.03442 7.22396 10.2525 7.43071 10.204 6.00424 12.8075 numMergedOcc 0
108 mol 227 unq 3 iso 0 dist 9.34734 8.65997 7.60506 8.03442 10.2525 7.22396 5.41321 10.7656 9.72615 4.59123 numMergedOcc 0
109 mol 227 unq 3 iso 1 dist 8.65997 9.34734 7.60506 8.03442 7.22396 10.2525 5.41321 9.72615 10.7656 4.59123 numMergedOcc 0
110 mol 227 unq 4 iso 0 dist 9.34734 7.56888 7.43198 8.03442 10.2525 6.10296 7.43071 6.00424 9.76735 12.8075 numMergedOcc 0
111 mol 227 unq 4 iso 1 dist 7.56888 9.34734 7.43198 8.03442 6.10296 10.2525 7.43071 9.76735 6.00424 12.8075 numMergedOcc 0
112 mol 227 unq 5 iso 0 dist 9.34734 7.56888 7.43198 8.03442 10.2525 6.10296 5.41321 10.7656 5.10635 4.59123 numMergedOcc 0
113 mol 227 unq 5 iso 1 dist 7.56888 9.34734 7.43198 8.03442 6.10296 10.2525 5.41321 5.10635 10.7656 4.59123 numMergedOcc 0
114 mol 227 unq 6 iso 0 dist 9.34734 7.55216 9.51866 8.03442 10.2525 9.69537 7.43071 6.00424 9.32448 12.8075 numMergedOcc 0
115 mol 227 unq 6 iso 1 dist 7.55216 9.34734 9.51866 8.03442 9.69537 10.2525 7.43071 9.32448 6.00424 12.8075 numMergedOcc 0
116 mol 227 unq 7 iso 0 dist 9.34734 7.55216 9.51866 8.03442 10.2525 9.69537 5.41321 10.7656 6.48027 4.59123 numMergedOcc 0
117 mol 227 unq 7 iso 1 dist 7.55216 9.34734 9.51866 8.03442 9.69537 10.2525 5.41321 6.48027 10.7656 4.59123 numMergedOcc 0
118 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 8.03442 10.5813 7.22396 7.43071 6.35849 10.204 12.8075 numMergedOcc 0
119 mol 227 unq 2 iso 1 dist 8.65997 7.22101 5.22356 8.03442 7.22396 10.5813 7.43071 10.204 6.35849 12.8075 numMergedOcc 0
120 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 8.03442 10.5813 7.22396 5.41321 10.9607 9.72615 4.59123 numMergedOcc 0
121 mol 227 unq 3 iso 1 dist 8.65997 7.22101 5.22356 8.03442 7.22396 10.5813 5.41321 9.72615 10.9607 4.59123 numMergedOcc 0
122 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 8.03442 10.5813 6.10296 7.43071 6.35849 9.76735 12.8075 numMergedOcc 0
123 mol 227 unq 4 iso 1 dist 7.56888 7.22101 10.8658 8.03442 6.10296 10.5813 7.43071 9.76735 6.35849 12.8075 numMergedOcc 0
124 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 8.03442 10.5813 6.10296 5.41321 10.9607 5.10635 4.59123 numMergedOcc 0
125 mol 227 unq 5 iso 1 dist 7.56888 7.22101 10.8658 8.03442 6.10296 10.5813 5.41321 5.10635 10.9607 4.59123 numMergedOcc 0
126 mol 227 unq 6 iso 0 dist 7.22101 7.55216 12.4689 8.03442 10.5813 9.69537 7.43071 6.35849 9.32448 12.8075 numMergedOcc 0
127 mol 227 unq 6 iso 1 dist 7.55216 7.22101 12.4689 8.03442 9.69537 10.5813 7.43071 9.32448 6.35849 12.8075 numMergedOcc 0
128 mol 227 unq 7 iso 0 dist 7.22101 7.55216 12.4689 8.03442 10.5813 9.69537 5.41321 10.9607 6.48027 4.59123 numMergedOcc 0
129 mol 227 unq 7 iso 1 dist 7.55216 7.22101 12.4689 8.03442 9.69537 10.5813 5.41321 6.48027 10.9607 4.59123 numMergedOcc 0
130 mol 227 unq 4 iso 0 dist 8.65997 7.56888 9.70012 8.03442 7.22396 6.10296 7.43071 10.204 9.76735 12.8075 numMergedOcc 0
131 mol 227 unq 4 iso 1 dist 7.56888 8.65997 9.70012 8.03442 6.10296 7.22396 7.43071 9.76735 10.204 12.8075 numMergedOcc 0
132 mol 227 unq 5 iso 0 dist 8.65997 7.56888 9.70012 8.03442 7.22396 6.10296 5.41321 9.72615 5.10635 4.59123 numMergedOcc 0
133 mol 227 unq 5 iso 1 dist 7.56888 8.65997 9.70012 8.03442 6.10296 7.22396 5.41321 5.10635 9.72615 4.59123 numMergedOcc 0
134 mol 227 unq 6 iso 0 dist 8.65997 7.55216 12.9332 8.03442 7.22396 9.69537 7.43071 10.204 9.32448 12.8075 numMergedOcc 0
135 mol 227 unq 6 iso 1 dist 7.55216 8.65997 12.9332 8.03442 9.69537 7.22396 7.43071 9.32448 10.204 12.8075 numMergedOcc 0
136 mol 227 unq 7 iso 0 dist 8.65997 7.55216 12.9332 8.03442 7.22396 9.69537 5.41321 9.72615 6.48027 4.59123 numMergedOcc 0
137 mol 227 unq 7 iso 1 dist 7.55216 8.65997 12.9332 8.03442 9.69537 7.22396 5.41321 6.48027 9.72615 4.59123 numMergedOcc 0
138 mol 227 unq 6 iso 0 dist 7.56888 7.55216 4.48529 8.03442 6.10296 9.69537 7.43071 9.76735 9.32448 12.8075 numMergedOcc 0
139 mol 227 unq 6 iso 1 dist 7.55216 7.56888 4.48529 8.03442 9.69537 6.10296 7.43071 9.32448 9.76735 12.8075 numMergedOcc 0
140 mol 227 unq 7 iso 0 dist 7.56888 7.55216 4.48529 8.03442 6.10296 9.69537 5.41321 5.10635 6.48027 4.59123 numMergedOcc 0
141 mol 227 unq 7 iso 1 dist 7.55216 7.56888 4.48529 8.03442 9.69537 6.10296 5.41321 6.48027 5.10635 4.59123 numMergedOcc 0
142 mol 234 unq 0 iso 0 dist 8.34494 6.56247 6.29886 8.24186 11.7705 5.63086 9.81425 4.3717 4.46561 9.68666 numMergedOcc 0
143 mol 234 unq 0 iso 1 dist 6.56247 8.34494 6.29886 8.24186 5.63086 11.7705 9.81425 4.46561 4.3717 9.68666 numMergedOcc 0
144 mol 234 unq 1 iso 0 dist 8.34494 9.36357 12.1694 8.24186 11.7705 5.6819 9.81425 4.3717 10.641 9.68666 numMergedOcc 0
145 mol 234 unq 1 iso 1 dist 9.36357 8.34494 12.1694 8.24186 5.6819 11.7705 9.81425 10.641 4.3717 9.68666 numMergedOcc 0
146 mol 234 unq 1 iso 0 dist 6.56247 9.36357 7.82322 8.24186 5.63086 5.6819 9.81425 4.46561 10.641 9.68666 numMergedOcc 0
147 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 8.24186 5.6819 5.63086 9.81425 10.641 4.46561 9.68666 numMergedOcc 0
148 mol 234 unq 2 iso 0 dist 8.41436 8.92474 8.62358 9.007 8.16888 5.3211 6.30154 7.44558 10.9712 7.82953 numMergedOcc 0
149 mol 234 unq 2 iso 1 dist 8.92474 8.41436 8.62358 9.007 5.3211 8.16888 6.30154 10.9712 7.44558 7.82953 numMergedOcc 0
150 mol 234 unq 3 iso 0 dist 8.41436 8.92474 8.62358 9.007 8.16888 5.3211 7.32499 10.7902 4.4288 5.76537 numMergedOcc 0
151 mol 234 unq 3 iso 1 dist 8.92474 8.41436 8.62358 9.007 5.3211 8.16888 7.32499 4.4288 10.7902 5.76537 numMergedOcc 0
152 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 9.56685 5.90436 12.106 9.85289 6.20558 11.4459 5.36428 numMergedOcc 0
153 mol 274 unq 0 iso 1 dist 8.49997 7.56915 6.33073 9.56685 12.106 5.90436 9.85289 11.4459 6.20558 5.36428 numMergedOcc 0
154 mol 274 unq 1 iso 0 dist 7.56915 8.49997 6.33073 8.49922 9.27829 12.9674 9.85289 6.20558 11.4459 11.9754 numMergedOcc 0
155 mol 274 unq 1 iso 1 dist 8.49997 7.56915 6.33073 8.49922 12.9674 9.27829 9.85289 11.4459 6.20558 11.9754 numMergedOcc 0
