0 mol 24 unq 0 iso 0 dist 7.95042 6.58998 8.24948 8.52463 5.80953 6.99746 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.27472 10.0655 7.96195 6.38336 4.44526 9.22115 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.27472 10.0655 7.96195 6.7828 9.586 9.15493 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.12845 5.30734 6.38243 6.04762 6.81793 5.66783 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.06939 6.08245 6.9223 9.44576 6.87506 8.67827 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.06939 6.86728 7.0561 9.44576 6.87506 13.0818 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 9.36001 7.24315 6.98037 13.9524 6.59716 8.67827 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.10496 7.32662 8.75597 7.94178 9.84703 8.02554 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.10496 7.32662 8.75597 4.4057 4.62494 11.2092 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.10496 12.3881 9.18457 7.94178 9.84703 16.2968 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 5.10496 12.3881 9.18457 4.4057 4.62494 8.26478 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 9.64383 8.76845 6.83746 18.5442 9.25444 14.6934 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 9.64383 8.76845 6.83746 16.4267 8.46823 11.4207 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 9.64383 11.7715 9.14707 18.5442 9.25444 16.2968 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 9.64383 11.7715 9.14707 16.4267 8.46823 8.26478 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 5.92242 13.4985 8.75597 15.7178 9.84703 8.02554 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 5.92242 13.4985 8.75597 7.42446 4.62494 11.2092 numMergedOcc 0
17 mol 98 unq 10 iso 0 dist 5.92242 7.89505 9.18457 15.7178 9.84703 16.2968 numMergedOcc 0
18 mol 98 unq 11 iso 0 dist 5.92242 7.89505 9.18457 7.42446 4.62494 8.26478 numMergedOcc 0
19 mol 98 unq 12 iso 0 dist 7.54889 13.9572 6.83746 9.85543 9.25444 14.6934 numMergedOcc 0
20 mol 98 unq 13 iso 0 dist 7.54889 13.9572 6.83746 9.67482 8.46823 11.4207 numMergedOcc 0
21 mol 98 unq 14 iso 0 dist 7.54889 13.1975 9.14707 9.85543 9.25444 16.2968 numMergedOcc 0
22 mol 98 unq 15 iso 0 dist 7.54889 13.1975 9.14707 9.67482 8.46823 8.26478 numMergedOcc 0
23 mol 98 unq 16 iso 0 dist 5.2571 6.934 8.75597 9.85543 9.84703 8.02554 numMergedOcc 0
24 mol 98 unq 17 iso 0 dist 5.2571 6.934 8.75597 9.67482 4.62494 11.2092 numMergedOcc 0
25 mol 98 unq 18 iso 0 dist 5.2571 13.1975 9.18457 9.85543 9.84703 16.2968 numMergedOcc 0
26 mol 98 unq 19 iso 0 dist 5.2571 13.1975 9.18457 9.67482 4.62494 8.26478 numMergedOcc 0
27 mol 98 unq 20 iso 0 dist 7.78931 14.5341 6.83746 7.28361 9.25444 14.6934 numMergedOcc 0
28 mol 98 unq 21 iso 0 dist 7.78931 14.5341 6.83746 12.0974 8.46823 11.4207 numMergedOcc 0
29 mol 98 unq 22 iso 0 dist 7.78931 15.9953 9.14707 7.28361 9.25444 16.2968 numMergedOcc 0
30 mol 98 unq 23 iso 0 dist 7.78931 15.9953 9.14707 12.0974 8.46823 8.26478 numMergedOcc 0
31 mol 98 unq 24 iso 0 dist 8.7497 7.17433 8.75597 7.28361 9.84703 8.02554 numMergedOcc 0
32 mol 98 unq 25 iso 0 dist 8.7497 7.17433 8.75597 12.0974 4.62494 11.2092 numMergedOcc 0
33 mol 98 unq 26 iso 0 dist 8.7497 15.9953 9.18457 7.28361 9.84703 16.2968 numMergedOcc 0
34 mol 98 unq 27 iso 0 dist 8.7497 15.9953 9.18457 12.0974 4.62494 8.26478 numMergedOcc 0
35 mol 105 unq 0 iso 0 dist 9.16718 7.33596 7.44838 11.0132 7.77089 4.22355 numMergedOcc 0
36 mol 105 unq 1 iso 0 dist 7.94633 8.22667 7.44838 9.96719 7.77089 4.22355 numMergedOcc 0
37 mol 112 unq 0 iso 0 dist 7.7988 7.83771 7.34602 6.41459 8.06134 12.2538 numMergedOcc 0
38 mol 112 unq 1 iso 0 dist 7.7988 7.83771 7.34602 7.64054 5.36587 8.49846 numMergedOcc 0
39 mol 112 unq 2 iso 0 dist 9.40824 11.4843 7.34602 7.18484 8.06134 12.2538 numMergedOcc 0
40 mol 112 unq 3 iso 0 dist 9.40824 11.4843 7.34602 10.9474 5.36587 8.49846 numMergedOcc 0
41 mol 112 unq 4 iso 0 dist 4.22363 9.97869 7.34602 4.35926 8.06134 12.2538 numMergedOcc 0
42 mol 112 unq 5 iso 0 dist 4.22363 9.97869 7.34602 5.76098 5.36587 8.49846 numMergedOcc 0
43 mol 112 unq 6 iso 0 dist 9.05166 12.6695 7.44041 5.76986 8.72725 15.0784 numMergedOcc 0
44 mol 119 unq 0 iso 0 dist 8.95212 13.52 9.57341 5.13589 8.67537 14.8901 numMergedOcc 0
45 mol 119 unq 1 iso 0 dist 6.99446 4.99056 9.57341 10.8661 8.67537 14.8901 numMergedOcc 0
46 mol 119 unq 2 iso 0 dist 7.64052 3.78311 9.57341 12.0175 8.67537 14.8901 numMergedOcc 0
47 mol 143 unq 0 iso 0 dist 5.37047 9.23795 8.612 6.48978 5.06564 6.60479 numMergedOcc 0
48 mol 143 unq 1 iso 0 dist 5.37047 9.23795 8.612 5.20762 7.5373 7.54337 numMergedOcc 0
49 mol 154 unq 0 iso 0 dist 8.33439 6.55507 9.82982 7.51976 8.71789 13.1849 numMergedOcc 0
50 mol 154 unq 1 iso 0 dist 8.33439 6.55507 9.82982 7.23684 5.2693 11.4511 numMergedOcc 0
51 mol 170 unq 0 iso 0 dist 9.08274 5.95519 5.13268 9.275 6.47164 7.29587 numMergedOcc 0
52 mol 170 unq 1 iso 0 dist 9.08274 5.95519 5.13268 12.5696 9.65126 8.73585 numMergedOcc 0
53 mol 170 unq 2 iso 0 dist 9.51256 7.72147 5.13268 4.34698 6.47164 7.29587 numMergedOcc 0
54 mol 170 unq 3 iso 0 dist 9.51256 7.72147 5.13268 5.75144 9.65126 8.73585 numMergedOcc 0
55 mol 186 unq 0 iso 0 dist 7.2793 6.87725 8.31881 10.5063 6.88127 6.16503 numMergedOcc 0
56 mol 188 unq 0 iso 0 dist 7.88013 5.48276 7.79115 8.77113 8.66624 5.0782 numMergedOcc 0
57 mol 224 unq 0 iso 0 dist 8.08349 4.59567 8.54702 10.7174 5.05368 10.0385 numMergedOcc 0
58 mol 224 unq 1 iso 0 dist 9.78218 9.48743 8.54702 6.51732 5.05368 10.0385 numMergedOcc 0
59 mol 227 unq 0 iso 0 dist 5.23634 10.5813 9.43618 6.35849 9.18728 12.8075 numMergedOcc 0
60 mol 227 unq 1 iso 0 dist 5.23634 10.5813 9.43618 10.9607 8.91971 4.59123 numMergedOcc 0
61 mol 227 unq 2 iso 0 dist 6.91318 7.22396 9.43618 10.204 9.18728 12.8075 numMergedOcc 0
62 mol 227 unq 3 iso 0 dist 6.91318 7.22396 9.43618 9.72615 8.91971 4.59123 numMergedOcc 0
63 mol 234 unq 0 iso 0 dist 7.81215 11.113 9.08151 10.0059 7.77911 9.35405 numMergedOcc 0
64 mol 234 unq 1 iso 0 dist 5.64285 5.52595 9.08151 5.08515 7.77911 9.35405 numMergedOcc 0
65 mol 235 unq 0 iso 0 dist 8.19317 11.5211 9.11454 6.82855 8.97952 5.92143 numMergedOcc 0
66 mol 235 unq 1 iso 0 dist 5.1823 6.65703 9.11454 6.46722 8.97952 5.92143 numMergedOcc 0
67 mol 239 unq 0 iso 0 dist 6.73665 13.1624 8.88763 11.169 8.95511 16.7674 numMergedOcc 0
68 mol 239 unq 1 iso 0 dist 6.73665 13.1624 8.88763 5.88931 5.85002 9.48848 numMergedOcc 0
69 mol 239 unq 2 iso 0 dist 6.73665 7.34872 6.43209 11.169 8.95511 13.3917 numMergedOcc 0
70 mol 239 unq 3 iso 0 dist 6.73665 7.34872 6.43209 5.88931 5.85002 6.77384 numMergedOcc 0
71 mol 239 unq 4 iso 0 dist 6.73665 8.9361 8.48769 11.169 8.95511 9.38172 numMergedOcc 0
72 mol 239 unq 5 iso 0 dist 6.73665 8.9361 8.48769 5.88931 5.85002 11.9537 numMergedOcc 0
73 mol 239 unq 6 iso 0 dist 9.34438 5.75834 8.88763 18.2672 8.95511 16.7674 numMergedOcc 0
74 mol 239 unq 7 iso 0 dist 9.34438 5.75834 8.88763 6.22471 5.85002 9.48848 numMergedOcc 0
75 mol 239 unq 8 iso 0 dist 9.34438 7.5231 6.43209 18.2672 8.95511 13.3917 numMergedOcc 0
76 mol 239 unq 9 iso 0 dist 9.34438 7.5231 6.43209 6.22471 5.85002 6.77384 numMergedOcc 0
77 mol 239 unq 10 iso 0 dist 9.34438 14.4518 8.48769 18.2672 8.95511 9.38172 numMergedOcc 0
78 mol 239 unq 11 iso 0 dist 9.34438 14.4518 8.48769 6.22471 5.85002 11.9537 numMergedOcc 0
79 mol 239 unq 12 iso 0 dist 9.35949 10.7034 8.88763 13.9678 8.95511 16.7674 numMergedOcc 0
80 mol 239 unq 13 iso 0 dist 9.35949 10.7034 8.88763 9.88845 5.85002 9.48848 numMergedOcc 0
81 mol 239 unq 14 iso 0 dist 9.35949 4.15997 6.43209 13.9678 8.95511 13.3917 numMergedOcc 0
82 mol 239 unq 15 iso 0 dist 9.35949 4.15997 6.43209 9.88845 5.85002 6.77384 numMergedOcc 0
83 mol 239 unq 16 iso 0 dist 9.35949 5.66218 8.48769 13.9678 8.95511 9.38172 numMergedOcc 0
84 mol 239 unq 17 iso 0 dist 9.35949 5.66218 8.48769 9.88845 5.85002 11.9537 numMergedOcc 0
85 mol 252 unq 0 iso 0 dist 7.15764 13.9054 9.39658 6.35641 8.09509 17.2823 numMergedOcc 0
86 mol 252 unq 1 iso 0 dist 7.15764 7.63376 5.9974 6.35641 8.09509 12.0545 numMergedOcc 0
87 mol 267 unq 0 iso 0 dist 8.8293 6.74922 7.60505 9.14203 6.27154 4.61607 numMergedOcc 0
88 mol 267 unq 1 iso 0 dist 7.34981 9.163 7.60505 8.37094 6.27154 4.61607 numMergedOcc 0
89 mol 273 unq 0 iso 0 dist 6.31969 5.9476 5.4307 7.81483 5.61969 9.76492 numMergedOcc 0
90 mol 273 unq 1 iso 0 dist 6.31969 5.9476 5.4307 7.92179 9.0277 11.5256 numMergedOcc 0
91 mol 279 unq 0 iso 0 dist 6.35028 6.15987 5.81528 12.6502 7.17958 8.43508 numMergedOcc 0
