0 mol 7 unq 0 iso 0 dist 9.8603 15.8072 8.72114 16.6461 9.67164 5.5683 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 4.60206 5.99972 4.7739 5.99459 6.12483 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.91301 10.4489 7.18019 13.8883 9.01112 4.1204 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.46229 9.93406 7.32257 3.96333 8.30653 10.6575 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.11056 11.095 8.60554 6.40447 8.09311 15.4445 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.11056 11.095 8.60554 3.96014 9.05357 11.8971 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.11056 4.04757 8.44664 6.40447 8.09311 3.84336 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 6.11056 4.04757 8.44664 3.96014 9.05357 7.01276 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.11056 6.66757 9.44691 6.40447 8.09311 13.0295 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 6.11056 6.66757 9.44691 3.96014 9.05357 4.02219 numMergedOcc 0
10 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 6.29702 4.79873 5.46578 numMergedOcc 0
11 mol 25 unq 1 iso 0 dist 8.40051 4.32173 6.16347 13.591 9.48085 9.62058 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 8.40051 15.9662 7.92503 6.29702 4.79873 11.0175 numMergedOcc 0
13 mol 25 unq 3 iso 0 dist 8.40051 15.9662 7.92503 13.591 9.48085 10.2758 numMergedOcc 0
14 mol 25 unq 4 iso 0 dist 8.6396 4.32173 7.45383 10.0172 7.52933 11.0227 numMergedOcc 0
15 mol 25 unq 5 iso 0 dist 8.6396 4.32173 7.45383 5.23233 6.55597 4.98822 numMergedOcc 0
16 mol 25 unq 6 iso 0 dist 8.6396 4.32173 7.45383 13.5673 9.71956 10.3547 numMergedOcc 0
17 mol 25 unq 7 iso 0 dist 8.6396 4.32173 7.45383 10.4709 7.07751 7.91914 numMergedOcc 0
18 mol 25 unq 8 iso 0 dist 8.6396 4.32173 7.45383 12.2787 8.23761 11.7069 numMergedOcc 0
19 mol 25 unq 9 iso 0 dist 8.6396 4.32173 7.45383 13.591 9.49421 9.62058 numMergedOcc 0
20 mol 25 unq 10 iso 0 dist 8.6396 16.0077 9.01548 10.0172 7.52933 15.1255 numMergedOcc 0
21 mol 25 unq 11 iso 0 dist 8.6396 16.0077 9.01548 5.23233 6.55597 13.4321 numMergedOcc 0
22 mol 25 unq 12 iso 0 dist 8.6396 16.0077 9.01548 13.5673 9.71956 8.84447 numMergedOcc 0
23 mol 25 unq 13 iso 0 dist 8.6396 16.0077 9.01548 10.4709 7.07751 9.66912 numMergedOcc 0
24 mol 25 unq 14 iso 0 dist 8.6396 16.0077 9.01548 12.2787 8.23761 13.1117 numMergedOcc 0
25 mol 25 unq 15 iso 0 dist 8.6396 16.0077 9.01548 13.591 9.49421 5.38592 numMergedOcc 0
26 mol 25 unq 16 iso 0 dist 7.63928 9.78075 6.85556 4.88495 7.99919 6.19011 numMergedOcc 0
27 mol 30 unq 0 iso 0 dist 8.609 5.73417 8.1284 3.65941 6.74179 4.98558 numMergedOcc 0
28 mol 56 unq 0 iso 0 dist 7.20538 3.63144 7.16773 7.2452 9.03564 9.76482 numMergedOcc 0
29 mol 58 unq 0 iso 0 dist 6.36193 4.37642 5.93884 4.99692 9.22598 5.66912 numMergedOcc 0
30 mol 58 unq 1 iso 0 dist 4.88613 4.37642 7.68678 4.99692 8.96727 5.66912 numMergedOcc 0
31 mol 58 unq 2 iso 0 dist 4.88613 4.37642 7.68678 3.70586 8.01308 5.76523 numMergedOcc 0
32 mol 62 unq 0 iso 0 dist 8.1599 7.46975 4.74544 5.46563 6.9103 4.09232 numMergedOcc 0
33 mol 69 unq 0 iso 0 dist 9.8809 7.30649 9.97775 4.69809 6.9362 5.1678 numMergedOcc 0
34 mol 73 unq 0 iso 0 dist 8.06168 4.53047 6.02816 13.9003 8.72682 13.952 numMergedOcc 0
35 mol 73 unq 1 iso 0 dist 8.06168 4.53047 6.02816 8.88868 6.45841 6.26495 numMergedOcc 0
36 mol 73 unq 2 iso 0 dist 8.06168 4.53047 6.02816 10.8798 5.61588 8.26195 numMergedOcc 0
37 mol 73 unq 3 iso 0 dist 8.06168 4.53047 6.02816 13.7267 7.83244 12.382 numMergedOcc 0
38 mol 73 unq 4 iso 0 dist 8.67532 7.05537 6.02816 17.2466 8.72682 13.952 numMergedOcc 0
39 mol 73 unq 5 iso 0 dist 8.67532 7.05537 6.02816 10.2047 6.45841 6.26495 numMergedOcc 0
40 mol 73 unq 6 iso 0 dist 8.67532 7.05537 6.02816 10.8441 5.61588 8.26195 numMergedOcc 0
41 mol 73 unq 7 iso 0 dist 8.67532 7.05537 6.02816 15.2203 7.83244 12.382 numMergedOcc 0
42 mol 85 unq 0 iso 0 dist 6.58793 3.88757 7.54568 6.97936 7.7068 4.93735 numMergedOcc 0
43 mol 92 unq 0 iso 0 dist 7.5819 4.00923 7.52354 5.23795 9.33861 4.52323 numMergedOcc 0
44 mol 109 unq 0 iso 0 dist 8.3164 4.81814 7.80523 8.08642 7.07971 5.92927 numMergedOcc 0
45 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 7.09333 8.80934 7.1951 numMergedOcc 0
46 mol 113 unq 1 iso 0 dist 8.89481 9.01097 9.66219 7.09333 8.80934 3.84573 numMergedOcc 0
47 mol 119 unq 0 iso 0 dist 6.18763 6.49348 8.00003 5.92411 8.95212 12.3661 numMergedOcc 0
48 mol 119 unq 1 iso 0 dist 8.44385 4.01593 9.11344 5.92411 6.99446 5.37917 numMergedOcc 0
49 mol 119 unq 2 iso 0 dist 5.63005 4.01593 6.52773 5.92411 7.64052 5.37917 numMergedOcc 0
50 mol 119 unq 3 iso 0 dist 5.63005 13.1254 9.23858 5.92411 7.64052 15.7711 numMergedOcc 0
51 mol 122 unq 0 iso 0 dist 6.78949 4.21285 8.88537 4.78332 6.00603 6.29388 numMergedOcc 0
52 mol 122 unq 1 iso 0 dist 6.78949 6.93382 9.23819 4.78332 6.00603 9.83972 numMergedOcc 0
53 mol 122 unq 2 iso 0 dist 9.40018 9.33734 8.88537 12.4857 6.00603 6.29388 numMergedOcc 0
54 mol 122 unq 3 iso 0 dist 9.40018 4.81033 9.23819 12.4857 6.00603 9.83972 numMergedOcc 0
55 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 9.60065 7.36975 12.207 numMergedOcc 0
56 mol 143 unq 1 iso 0 dist 8.30654 11.6678 7.78652 4.68518 5.40637 10.0079 numMergedOcc 0
57 mol 143 unq 2 iso 0 dist 8.30654 11.347 8.91301 9.60065 7.36975 14.7271 numMergedOcc 0
58 mol 143 unq 3 iso 0 dist 8.30654 11.347 8.91301 4.68518 5.40637 9.05366 numMergedOcc 0
59 mol 159 unq 0 iso 0 dist 7.97007 4.49716 9.17787 3.82805 9.36259 7.91903 numMergedOcc 0
60 mol 159 unq 1 iso 0 dist 7.97007 6.69743 8.4858 3.82805 9.36259 9.65034 numMergedOcc 0
61 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 17.3349 8.59874 6.39406 numMergedOcc 0
62 mol 181 unq 1 iso 0 dist 9.84952 6.78739 5.94469 7.19461 6.64173 4.98436 numMergedOcc 0
63 mol 181 unq 2 iso 0 dist 9.84952 6.78739 5.94469 9.77747 9.01624 11.9796 numMergedOcc 0
64 mol 181 unq 3 iso 0 dist 9.84952 6.78739 5.94469 10.0615 9.55105 12.3589 numMergedOcc 0
65 mol 195 unq 0 iso 0 dist 7.63036 7.14066 7.36683 3.58901 7.41662 8.90504 numMergedOcc 0
66 mol 195 unq 1 iso 0 dist 7.63036 4.58275 6.95086 3.58901 7.41662 5.60628 numMergedOcc 0
67 mol 205 unq 0 iso 0 dist 5.96555 3.99238 6.03688 6.96644 6.52816 5.28417 numMergedOcc 0
68 mol 259 unq 0 iso 0 dist 8.06771 5.61261 7.98231 9.0675 9.46361 4.10176 numMergedOcc 0
69 mol 259 unq 1 iso 0 dist 9.54857 8.74892 7.08526 5.49348 5.85442 4.47425 numMergedOcc 0
70 mol 259 unq 2 iso 0 dist 9.54857 8.74892 7.08526 5.13138 6.95511 4.10176 numMergedOcc 0
71 mol 292 unq 0 iso 0 dist 9.6898 7.31058 7.83341 18.4042 9.9182 13.4805 numMergedOcc 0
72 mol 292 unq 1 iso 0 dist 9.6898 7.31058 7.83341 14.5738 8.9221 8.14131 numMergedOcc 0
73 mol 292 unq 2 iso 0 dist 5.75596 8.07013 7.83341 6.65781 9.9182 13.4805 numMergedOcc 0
74 mol 292 unq 3 iso 0 dist 5.75596 8.07013 7.83341 4.00064 8.9221 8.14131 numMergedOcc 0
75 mol 292 unq 4 iso 0 dist 9.20416 11.6878 7.07965 8.88312 7.20674 13.8094 numMergedOcc 0
76 mol 292 unq 5 iso 0 dist 9.20416 11.6878 7.07965 12.3704 8.38121 13.8468 numMergedOcc 0
77 mol 292 unq 6 iso 0 dist 7.53641 8.46139 7.07965 10.0594 7.20674 13.8094 numMergedOcc 0
78 mol 292 unq 7 iso 0 dist 7.53641 8.46139 7.07965 15.5666 8.38121 13.8468 numMergedOcc 0
