0 mol 0 unq 0 iso 0 dist 8.82102 4.87624 7.65806 12.7597 9.19007 9.64573 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.82102 4.87624 7.65806 10.9048 9.56794 6.05328 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.37981 12.7599 9.6994 6.58151 6.26831 6.34883 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 7.37981 13.3337 7.15528 6.58151 6.26831 9.19662 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 7.19621 9.95 9.6994 8.69991 6.26831 6.34883 numMergedOcc 0
5 mol 0 unq 5 iso 0 dist 7.19621 6.83587 7.15528 8.69991 6.26831 9.19662 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 13.3639 6.72502 6.58998 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 9.90845 9.89489 8.38394 13.3639 6.72502 6.59374 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 13.5596 8.64015 11.0904 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 6.48625 5.30842 9.21998 13.5596 8.64015 12.9211 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 6.27749 5.63638 8.90863 11.7103 8.82176 13.0114 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 9.74643 5.5332 8.58044 10.6546 8.89913 5.54205 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 6.85381 12.5148 9.60462 4.26804 8.729 11.0629 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 6.85381 6.38057 7.45389 4.26804 8.729 5.48848 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 8.42445 7.18757 7.5732 10.9798 6.34525 11.128 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 16.5854 8.56342 4.91132 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 9.58167 6.37542 6.08167 numMergedOcc 0
17 mol 126 unq 0 iso 0 dist 9.54928 7.01529 6.06638 12.3511 9.46588 5.5703 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 13.3078 9.29384 9.32969 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 10.6416 9.29384 9.32969 numMergedOcc 0
20 mol 142 unq 0 iso 0 dist 7.57458 13.1936 9.2313 9.05212 9.17106 12.6057 numMergedOcc 0
21 mol 142 unq 1 iso 0 dist 7.57458 12.288 7.73169 9.05212 9.17106 8.38032 numMergedOcc 0
22 mol 142 unq 2 iso 0 dist 7.57458 14.2067 8.96657 9.05212 9.17106 8.16815 numMergedOcc 0
23 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 10.4193 9.77552 9.35627 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 11.9192 5.4969 12.3408 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 9.00898 5.96451 9.29945 11.0956 6.4318 8.68081 numMergedOcc 0
26 mol 175 unq 2 iso 0 dist 9.00898 5.96451 9.29945 15.1521 7.35824 12.5754 numMergedOcc 0
27 mol 175 unq 3 iso 0 dist 9.00898 5.96451 9.29945 13.624 9.17364 10.0424 numMergedOcc 0
28 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 5.49143 4.92088 10.1489 numMergedOcc 0
29 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 5.49143 4.92088 8.27339 numMergedOcc 0
30 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 5.49143 4.92088 9.79302 numMergedOcc 0
31 mol 178 unq 3 iso 0 dist 8.0974 13.5599 8.81551 5.49143 4.92088 8.65097 numMergedOcc 0
32 mol 210 unq 0 iso 0 dist 9.67457 5.82028 6.18308 13.9851 5.37446 9.59996 numMergedOcc 0
33 mol 214 unq 0 iso 0 dist 8.49704 12.4611 9.65138 5.20422 6.38157 7.38025 numMergedOcc 0
34 mol 214 unq 1 iso 0 dist 8.49704 11.832 7.14453 5.20422 6.38157 9.35273 numMergedOcc 0
35 mol 214 unq 2 iso 0 dist 8.49704 10.644 8.85478 5.20422 6.38157 5.63388 numMergedOcc 0
36 mol 220 unq 0 iso 0 dist 7.31105 14.6296 9.23153 12.6425 5.45036 6.17628 numMergedOcc 0
37 mol 220 unq 1 iso 0 dist 7.31105 14.6296 9.23153 12.3625 9.97586 14.0253 numMergedOcc 0
38 mol 220 unq 2 iso 0 dist 7.31105 9.52692 8.24498 12.6425 5.45036 10.4136 numMergedOcc 0
39 mol 220 unq 3 iso 0 dist 7.31105 9.52692 8.24498 12.3625 9.97586 6.20511 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 11.5459 8.48341 6.03524 numMergedOcc 0
41 mol 222 unq 1 iso 0 dist 8.7347 4.28891 7.54212 11.5459 8.48341 7.60395 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 7.69431 8.03442 10.2525 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 7.69431 8.03442 10.5813 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 7.69431 8.03442 7.22396 numMergedOcc 0
45 mol 227 unq 3 iso 0 dist 9.17826 10.6504 7.56888 7.69431 8.03442 6.10296 numMergedOcc 0
46 mol 227 unq 4 iso 0 dist 9.17826 11.4528 7.55216 7.69431 8.03442 9.69537 numMergedOcc 0
47 mol 230 unq 0 iso 0 dist 8.49299 6.9602 6.7547 11.9554 6.41286 6.20661 numMergedOcc 0
48 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 10.3269 9.007 8.16888 numMergedOcc 0
49 mol 234 unq 1 iso 0 dist 5.00515 10.2063 8.92474 10.3269 9.007 5.3211 numMergedOcc 0
50 mol 238 unq 0 iso 0 dist 9.31417 6.62361 5.72887 16.0652 7.32982 12.3808 numMergedOcc 0
51 mol 238 unq 1 iso 0 dist 5.56719 5.96552 5.72887 11.468 7.32982 12.3808 numMergedOcc 0
52 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 7.37634 7.50201 11.056 numMergedOcc 0
53 mol 252 unq 1 iso 0 dist 9.73021 12.5855 9.2288 7.37634 7.50201 5.23748 numMergedOcc 0
54 mol 252 unq 2 iso 0 dist 9.73021 5.26867 7.19638 7.37634 7.50201 7.63376 numMergedOcc 0
55 mol 253 unq 0 iso 0 dist 7.7993 13.0587 9.02271 5.75734 7.77998 13.6942 numMergedOcc 0
56 mol 253 unq 1 iso 0 dist 6.10761 4.70422 9.02271 10.1636 7.77998 13.6942 numMergedOcc 0
57 mol 258 unq 0 iso 0 dist 5.81927 9.49027 6.97229 6.31492 8.15467 11.6066 numMergedOcc 0
58 mol 258 unq 1 iso 0 dist 8.58088 10.221 6.60405 13.2039 9.53063 6.6525 numMergedOcc 0
59 mol 258 unq 2 iso 0 dist 8.58088 9.22664 6.42289 13.2039 9.53063 5.27959 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 13.6686 8.55558 5.60748 numMergedOcc 0
61 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 16.9167 9.19033 10.26 numMergedOcc 0
62 mol 272 unq 1 iso 0 dist 9.1118 6.72149 8.46116 16.9167 9.19033 13.5034 numMergedOcc 0
63 mol 274 unq 0 iso 0 dist 9.696 10.7962 7.56915 16.1684 9.56685 5.90436 numMergedOcc 0
64 mol 274 unq 1 iso 0 dist 9.696 10.7962 7.56915 16.3319 8.49922 9.27829 numMergedOcc 0
65 mol 274 unq 2 iso 0 dist 9.696 5.1874 8.49997 16.1684 9.56685 12.106 numMergedOcc 0
66 mol 274 unq 3 iso 0 dist 9.696 5.1874 8.49997 16.3319 8.49922 12.9674 numMergedOcc 0
