0 mol 7 unq 0 iso 0 dist 5.72491 8.72114 10.1959 9.67164 8.0744 5.5683 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.88043 5.99972 7.25346 5.99459 8.0744 6.12483 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.80762 5.99972 10.0658 5.99459 11.7002 6.12483 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 7.92414 7.03958 8.07902 6.56356 4.69349 4.1204 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 6.82379 7.03958 5.65816 6.56356 8.64248 4.1204 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 8.30653 4.3947 10.6575 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 7.95042 4.47891 10.0453 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 8.09311 9.94429 15.4445 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.72502 8.60554 6.99746 9.05357 6.88355 11.8971 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 6.72502 8.44664 7.6844 8.09311 9.94429 3.84336 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 6.72502 8.44664 7.6844 9.05357 6.88355 7.01276 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 6.72502 9.44691 7.05541 8.09311 9.94429 13.0295 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 6.72502 9.44691 7.05541 9.05357 6.88355 4.02219 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 4.93188 8.70827 9.75636 6.6219 8.32592 4.04519 numMergedOcc 0
14 mol 24 unq 8 iso 0 dist 4.93188 8.70827 9.75636 5.68215 8.10397 13.7009 numMergedOcc 0
15 mol 24 unq 9 iso 0 dist 4.93188 6.73939 10.0715 6.6219 8.32592 12.5545 numMergedOcc 0
16 mol 24 unq 10 iso 0 dist 4.93188 6.73939 10.0715 5.68215 8.10397 4.08755 numMergedOcc 0
17 mol 24 unq 11 iso 0 dist 9.24958 9.12854 9.75636 8.87744 7.55689 9.86385 numMergedOcc 0
18 mol 24 unq 12 iso 0 dist 9.24958 9.12854 9.75636 7.27472 5.11135 10.4353 numMergedOcc 0
19 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 7.6114 11.4877 10.8122 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 6.90155 6.16347 11.0508 4.79873 6.86525 5.46578 numMergedOcc 0
21 mol 25 unq 2 iso 0 dist 6.90155 6.16347 11.0508 9.48085 13.7717 9.62058 numMergedOcc 0
22 mol 25 unq 3 iso 0 dist 6.90155 7.92503 6.61233 4.79873 6.86525 11.0175 numMergedOcc 0
23 mol 25 unq 4 iso 0 dist 6.90155 7.92503 6.61233 9.48085 13.7717 10.2758 numMergedOcc 0
24 mol 25 unq 5 iso 0 dist 6.6492 7.45383 11.7817 7.52933 7.41888 11.0227 numMergedOcc 0
25 mol 25 unq 6 iso 0 dist 6.6492 7.45383 11.7817 6.55597 8.89681 4.98822 numMergedOcc 0
26 mol 25 unq 7 iso 0 dist 6.6492 7.45383 11.7817 9.71956 6.97709 10.3547 numMergedOcc 0
27 mol 25 unq 8 iso 0 dist 6.6492 7.45383 11.7817 7.07751 5.5511 7.91914 numMergedOcc 0
28 mol 25 unq 9 iso 0 dist 6.6492 7.45383 11.7817 8.23761 4.38027 11.7069 numMergedOcc 0
29 mol 25 unq 10 iso 0 dist 6.6492 7.45383 11.7817 9.49421 11.7199 9.62058 numMergedOcc 0
30 mol 25 unq 11 iso 0 dist 6.6492 9.01548 9.12941 7.52933 7.41888 15.1255 numMergedOcc 0
31 mol 25 unq 12 iso 0 dist 6.6492 9.01548 9.12941 6.55597 8.89681 13.4321 numMergedOcc 0
32 mol 25 unq 13 iso 0 dist 6.6492 9.01548 9.12941 9.71956 6.97709 8.84447 numMergedOcc 0
33 mol 25 unq 14 iso 0 dist 6.6492 9.01548 9.12941 7.07751 5.5511 9.66912 numMergedOcc 0
34 mol 25 unq 15 iso 0 dist 6.6492 9.01548 9.12941 8.23761 4.38027 13.1117 numMergedOcc 0
35 mol 25 unq 16 iso 0 dist 6.6492 9.01548 9.12941 9.49421 11.7199 5.38592 numMergedOcc 0
36 mol 56 unq 0 iso 0 dist 6.77886 7.16773 8.25666 9.03564 10.5332 9.76482 numMergedOcc 0
37 mol 59 unq 0 iso 0 dist 8.64015 8.08618 5.9995 6.56212 4.88345 5.56986 numMergedOcc 0
38 mol 60 unq 0 iso 0 dist 7.55695 9.90939 4.82351 8.4312 5.71764 5.85676 numMergedOcc 0
39 mol 73 unq 0 iso 0 dist 5.16364 6.02816 9.03289 8.72682 5.56296 13.952 numMergedOcc 0
40 mol 73 unq 1 iso 0 dist 5.16364 6.02816 9.03289 6.45841 6.69436 6.26495 numMergedOcc 0
41 mol 73 unq 2 iso 0 dist 5.16364 6.02816 9.03289 5.61588 5.50891 8.26195 numMergedOcc 0
42 mol 73 unq 3 iso 0 dist 5.16364 6.02816 9.03289 7.83244 4.75954 12.382 numMergedOcc 0
43 mol 85 unq 0 iso 0 dist 7.33422 7.54568 6.85215 7.7068 6.33204 4.93735 numMergedOcc 0
44 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 9.33861 10.2518 4.52323 numMergedOcc 0
45 mol 100 unq 0 iso 0 dist 9.00544 7.38135 5.46256 7.82475 11.3766 7.55779 numMergedOcc 0
46 mol 100 unq 1 iso 0 dist 9.00544 7.38135 5.46256 5.35782 10.5056 8.00947 numMergedOcc 0
47 mol 100 unq 2 iso 0 dist 7.12017 7.38135 9.38256 7.82475 13.4027 7.55779 numMergedOcc 0
48 mol 100 unq 3 iso 0 dist 7.12017 7.38135 9.38256 5.35782 12.068 8.00947 numMergedOcc 0
49 mol 109 unq 0 iso 0 dist 5.34214 7.80523 10.8469 7.07971 6.8409 5.92927 numMergedOcc 0
50 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 6.99446 6.29394 5.37917 numMergedOcc 0
51 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 7.64052 6.29394 5.37917 numMergedOcc 0
52 mol 119 unq 2 iso 0 dist 8.56342 9.23858 13.3975 7.64052 6.29394 15.7711 numMergedOcc 0
53 mol 119 unq 3 iso 0 dist 6.37542 6.52773 4.86811 7.64052 9.64502 5.37917 numMergedOcc 0
54 mol 119 unq 4 iso 0 dist 6.37542 9.23858 8.00229 7.64052 9.64502 15.7711 numMergedOcc 0
55 mol 129 unq 0 iso 0 dist 8.03372 9.36851 6.84211 5.58833 7.06894 9.30433 numMergedOcc 0
56 mol 129 unq 1 iso 0 dist 8.03372 4.97175 4.53459 5.58833 7.06894 4.28744 numMergedOcc 0
57 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 7.36975 9.05786 12.207 numMergedOcc 0
58 mol 143 unq 1 iso 0 dist 8.41611 7.78652 15.0801 5.40637 6.16103 10.0079 numMergedOcc 0
59 mol 143 unq 2 iso 0 dist 8.41611 8.91301 15.0315 7.36975 9.05786 14.7271 numMergedOcc 0
60 mol 143 unq 3 iso 0 dist 8.41611 8.91301 15.0315 5.40637 6.16103 9.05366 numMergedOcc 0
61 mol 143 unq 4 iso 0 dist 7.63338 7.78652 11.5146 7.36975 3.75378 12.207 numMergedOcc 0
62 mol 143 unq 5 iso 0 dist 7.63338 7.78652 11.5146 5.40637 8.4697 10.0079 numMergedOcc 0
63 mol 143 unq 6 iso 0 dist 7.63338 8.91301 13.434 7.36975 3.75378 14.7271 numMergedOcc 0
64 mol 143 unq 7 iso 0 dist 7.63338 8.91301 13.434 5.40637 8.4697 9.05366 numMergedOcc 0
65 mol 143 unq 8 iso 0 dist 9.03707 7.78652 8.97873 7.36975 14.0356 12.207 numMergedOcc 0
66 mol 143 unq 9 iso 0 dist 9.03707 7.78652 8.97873 5.40637 5.41614 10.0079 numMergedOcc 0
67 mol 143 unq 10 iso 0 dist 9.03707 8.91301 6.29542 7.36975 14.0356 14.7271 numMergedOcc 0
68 mol 143 unq 11 iso 0 dist 9.03707 8.91301 6.29542 5.40637 5.41614 9.05366 numMergedOcc 0
69 mol 143 unq 12 iso 0 dist 7.25673 7.78652 6.60479 7.36975 9.30534 12.207 numMergedOcc 0
70 mol 143 unq 13 iso 0 dist 7.25673 7.78652 6.60479 5.40637 6.78032 10.0079 numMergedOcc 0
71 mol 143 unq 14 iso 0 dist 7.25673 8.91301 7.54337 7.36975 9.30534 14.7271 numMergedOcc 0
72 mol 143 unq 15 iso 0 dist 7.25673 8.91301 7.54337 5.40637 6.78032 9.05366 numMergedOcc 0
73 mol 159 unq 0 iso 0 dist 7.25742 9.17787 10.3427 9.36259 5.34453 7.91903 numMergedOcc 0
74 mol 159 unq 1 iso 0 dist 7.25742 8.4858 7.97232 9.36259 5.34453 9.65034 numMergedOcc 0
75 mol 175 unq 0 iso 0 dist 5.4969 9.39352 8.94702 9.63417 9.37652 6.43397 numMergedOcc 0
76 mol 175 unq 1 iso 0 dist 6.4318 9.39352 4.06277 9.63417 4.52999 6.43397 numMergedOcc 0
77 mol 175 unq 2 iso 0 dist 7.35824 9.39352 10.3786 9.63417 5.68406 6.43397 numMergedOcc 0
78 mol 175 unq 3 iso 0 dist 9.17364 9.39352 11.9672 9.63417 9.31641 6.43397 numMergedOcc 0
79 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 7.05695 8.1007 3.78314 numMergedOcc 0
80 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 6.61112 8.58039 4.03697 numMergedOcc 0
81 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 7.41662 9.48862 8.90504 numMergedOcc 0
82 mol 195 unq 1 iso 0 dist 6.60567 6.95086 6.74112 7.41662 9.48862 5.60628 numMergedOcc 0
83 mol 195 unq 2 iso 0 dist 7.62942 9.26504 6.0634 9.03441 8.89297 8.29668 numMergedOcc 0
84 mol 204 unq 0 iso 0 dist 6.85441 9.68728 5.42649 7.9133 9.54203 14.0756 numMergedOcc 0
85 mol 222 unq 0 iso 0 dist 8.48341 9.07471 7.92402 6.74196 9.0716 4.67663 numMergedOcc 0
86 mol 222 unq 1 iso 0 dist 8.48341 9.07471 7.92402 8.36842 10.5383 6.37382 numMergedOcc 0
87 mol 222 unq 2 iso 0 dist 8.48341 9.07471 7.92402 9.75472 8.90753 6.31322 numMergedOcc 0
88 mol 223 unq 0 iso 0 dist 6.13306 7.48463 6.80048 6.42257 4.40141 10.5752 numMergedOcc 0
89 mol 223 unq 1 iso 0 dist 6.13306 7.48463 6.80048 9.33543 9.63911 3.86668 numMergedOcc 0
90 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 6.71524 8.03712 11.2243 numMergedOcc 0
91 mol 238 unq 0 iso 0 dist 7.32982 9.24557 4.77308 9.72188 13.0611 17.1065 numMergedOcc 0
92 mol 238 unq 1 iso 0 dist 5.52379 7.10685 5.83386 9.07475 6.50998 5.37176 numMergedOcc 0
93 mol 238 unq 2 iso 0 dist 5.52379 7.10685 5.83386 6.99888 5.63944 6.65214 numMergedOcc 0
94 mol 259 unq 0 iso 0 dist 8.55558 7.08526 6.31909 5.85442 7.32929 4.47425 numMergedOcc 0
95 mol 259 unq 1 iso 0 dist 8.55558 7.08526 6.31909 6.95511 9.55426 4.10176 numMergedOcc 0
