0 mol 7 unq 0 iso 0 dist 7.5298 8.85869 5.38328 13.8023 8.94874 13.7 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5298 7.87568 5.02731 13.8023 8.94874 10.3158 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 5.95004 8.38301 5.43618 5.48316 7.24782 12.0074 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.34632 5.62629 5.20168 9.40104 9.3239 11.447 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 5.62629 8.34632 5.20168 5.90603 6.15118 11.1898 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 4.87423 7.75237 8.67175 6.17026 6.71332 12.9793 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 4.87423 7.75237 8.67175 3.843 4.76283 10.8022 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.84699 8.40844 5.47475 13.6926 7.53504 8.66342 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.84699 6.99156 5.05066 13.6926 7.53504 7.21285 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.40844 7.84699 5.47475 14.5875 7.02351 12.1654 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.40844 7.84699 5.47475 13.6926 8.66342 7.53504 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 8.40844 6.99156 4.4628 14.5875 7.02351 10.4593 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 8.40844 6.99156 4.4628 13.6926 8.66342 7.21285 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 6.99156 7.84699 5.05066 13.6926 7.21285 7.53504 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 6.99156 8.40844 4.4628 13.6926 7.21285 8.66342 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 7.53504 8.66342 5.47475 13.6926 7.84699 8.40844 numMergedOcc 0
16 mol 73 unq 9 iso 0 dist 7.53504 7.21285 5.05066 13.6926 7.84699 6.99156 numMergedOcc 0
17 mol 73 unq 10 iso 0 dist 7.53504 6.95094 9.51715 13.6926 7.84699 12.2348 numMergedOcc 0
18 mol 73 unq 11 iso 0 dist 8.66342 7.53504 5.47475 13.6926 8.40844 7.84699 numMergedOcc 0
19 mol 73 unq 12 iso 0 dist 8.66342 7.53504 5.47475 12.3241 7.02351 12.1654 numMergedOcc 0
20 mol 73 unq 13 iso 0 dist 8.66342 7.21285 4.4628 13.6926 8.40844 6.99156 numMergedOcc 0
21 mol 73 unq 14 iso 0 dist 8.66342 7.21285 4.4628 12.3241 7.02351 10.4593 numMergedOcc 0
22 mol 73 unq 15 iso 0 dist 8.66342 6.95094 11.6754 13.6926 8.40844 12.2348 numMergedOcc 0
23 mol 73 unq 16 iso 0 dist 8.66342 6.95094 11.6754 12.3241 7.02351 16.7273 numMergedOcc 0
24 mol 73 unq 17 iso 0 dist 7.21285 7.53504 5.05066 13.6926 6.99156 7.84699 numMergedOcc 0
25 mol 73 unq 18 iso 0 dist 7.21285 8.66342 4.4628 13.6926 6.99156 8.40844 numMergedOcc 0
26 mol 73 unq 19 iso 0 dist 7.21285 6.95094 7.64038 13.6926 6.99156 12.2348 numMergedOcc 0
27 mol 76 unq 0 iso 0 dist 8.62536 7.93891 4.73776 10.9425 9.51608 13.4473 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 6.2491 8.87856 11.9551 5.4823 3.59451 11.3126 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 8.6728 9.36989 12.1484 11.7765 7.26246 18.5703 numMergedOcc 0
30 mol 102 unq 0 iso 0 dist 9.61113 7.59973 7.56811 12.0662 7.73836 10.8539 numMergedOcc 0
31 mol 156 unq 0 iso 0 dist 6.67598 8.98636 5.58471 14.2743 8.34508 11.7694 numMergedOcc 0
32 mol 156 unq 1 iso 0 dist 6.67598 8.79185 10.7024 14.2743 8.34508 18.4279 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 5.94835 6.76947 6.26321 11.1418 8.21112 13.8569 numMergedOcc 0
34 mol 205 unq 1 iso 0 dist 5.94835 6.76947 6.26321 10.4273 7.06533 11.3296 numMergedOcc 0
35 mol 211 unq 0 iso 0 dist 9.45365 7.14732 9.23863 4.78922 7.15386 10.0622 numMergedOcc 0
36 mol 211 unq 1 iso 0 dist 9.45365 7.14732 9.23863 8.05917 7.73993 11.9605 numMergedOcc 0
37 mol 211 unq 2 iso 0 dist 9.63472 7.15386 10.7154 5.16245 5.42004 7.73993 numMergedOcc 0
38 mol 211 unq 3 iso 0 dist 9.63472 7.15386 10.7154 10.8098 9.63103 16.5693 numMergedOcc 0
39 mol 211 unq 4 iso 0 dist 7.15386 9.63472 10.7154 4.78922 9.45365 10.2433 numMergedOcc 0
40 mol 211 unq 5 iso 0 dist 7.15386 9.63472 10.7154 5.16245 7.73993 5.42004 numMergedOcc 0
41 mol 211 unq 6 iso 0 dist 5.42004 7.73993 10.7154 5.16245 9.63472 7.15386 numMergedOcc 0
42 mol 211 unq 7 iso 0 dist 5.42004 7.73993 10.7154 9.68345 9.63103 16.5693 numMergedOcc 0
43 mol 211 unq 8 iso 0 dist 7.73993 5.42004 10.7154 5.16245 7.15386 9.63472 numMergedOcc 0
44 mol 211 unq 9 iso 0 dist 7.73993 5.42004 10.7154 8.05917 9.45365 10.2433 numMergedOcc 0
45 mol 220 unq 0 iso 0 dist 7.80496 9.60247 5.5301 9.83283 8.75468 12.3489 numMergedOcc 0
46 mol 220 unq 1 iso 0 dist 7.80496 9.60247 5.5301 11.1254 8.60479 14.0504 numMergedOcc 0
47 mol 220 unq 2 iso 0 dist 9.60247 7.80496 5.5301 11.0251 8.57273 12.784 numMergedOcc 0
48 mol 220 unq 3 iso 0 dist 8.75468 7.0166 9.1793 9.83283 7.80496 13.0943 numMergedOcc 0
49 mol 220 unq 4 iso 0 dist 8.75468 7.0166 9.1793 7.23892 8.60479 12.2066 numMergedOcc 0
50 mol 220 unq 5 iso 0 dist 5.51565 4.3362 5.88344 6.08531 9.74776 10.181 numMergedOcc 0
51 mol 224 unq 0 iso 0 dist 9.92947 7.46044 16.6444 5.639 8.68767 12.7302 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 9.96759 7.8316 10.0224 7.84836 9.59565 13.683 numMergedOcc 0
53 mol 224 unq 2 iso 0 dist 7.7163 9.2 5.75133 5.51581 9.06201 12.9943 numMergedOcc 0
54 mol 230 unq 0 iso 0 dist 5.00735 6.73755 5.38279 10.6003 9.27643 12.9267 numMergedOcc 0
55 mol 260 unq 0 iso 0 dist 8.3298 8.66784 5.54154 10.3809 9.05149 13.9209 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 5.38704 9.30966 6.03753 6.61591 8.26695 14.1205 numMergedOcc 0
57 mol 274 unq 1 iso 0 dist 5.38704 8.05503 6.07831 6.61591 8.26695 5.59151 numMergedOcc 0
58 mol 274 unq 2 iso 0 dist 8.05503 9.30966 11.568 11.2805 7.59956 14.7794 numMergedOcc 0
59 mol 274 unq 3 iso 0 dist 8.05503 9.30966 11.568 6.61591 5.59151 14.1205 numMergedOcc 0
60 mol 274 unq 4 iso 0 dist 8.05503 5.38704 6.07831 11.2805 7.59956 11.2121 numMergedOcc 0
61 mol 274 unq 5 iso 0 dist 8.05503 5.38704 6.07831 6.61591 5.59151 8.26695 numMergedOcc 0
62 mol 274 unq 6 iso 0 dist 8.26695 5.59151 6.07831 6.61591 5.38704 8.05503 numMergedOcc 0
63 mol 274 unq 7 iso 0 dist 8.26695 8.17922 16.4367 6.61591 5.38704 13.7143 numMergedOcc 0
64 mol 274 unq 8 iso 0 dist 5.59151 8.26695 6.07831 10.1205 7.59956 11.2121 numMergedOcc 0
65 mol 274 unq 9 iso 0 dist 5.59151 8.26695 6.07831 6.61591 8.05503 5.38704 numMergedOcc 0
66 mol 274 unq 10 iso 0 dist 5.59151 8.17922 12.757 10.1205 7.59956 14.5587 numMergedOcc 0
67 mol 274 unq 11 iso 0 dist 5.59151 8.17922 12.757 6.61591 8.05503 13.7143 numMergedOcc 0
68 mol 274 unq 12 iso 0 dist 9.96645 9.29005 19.0649 7.90361 9.2447 13.7112 numMergedOcc 0
69 mol 274 unq 13 iso 0 dist 9.96645 8.16746 17.8293 7.90361 9.2447 15.0357 numMergedOcc 0
70 mol 274 unq 14 iso 0 dist 9.29005 9.96645 19.0649 7.42692 7.24089 14.6557 numMergedOcc 0
71 mol 274 unq 15 iso 0 dist 9.29005 8.16746 5.09461 7.42692 7.24089 10.0585 numMergedOcc 0
72 mol 274 unq 16 iso 0 dist 9.2447 7.87268 12.0214 7.90361 9.96645 15.3964 numMergedOcc 0
73 mol 279 unq 0 iso 0 dist 8.18179 7.45556 11.5781 7.00034 8.87355 12.022 numMergedOcc 0
74 mol 279 unq 1 iso 0 dist 8.18179 7.45556 11.5781 5.38839 9.51355 12.3758 numMergedOcc 0
75 mol 279 unq 2 iso 0 dist 8.18179 5.25218 11.6836 7.00034 8.87355 12.0184 numMergedOcc 0
76 mol 279 unq 3 iso 0 dist 8.18179 5.25218 11.6836 5.38839 9.51355 8.31465 numMergedOcc 0
77 mol 279 unq 4 iso 0 dist 5.25218 8.18179 11.6836 5.38839 8.31465 9.51355 numMergedOcc 0
78 mol 279 unq 5 iso 0 dist 5.25218 8.18179 11.6836 11.2306 7.88102 15.3751 numMergedOcc 0
79 mol 279 unq 6 iso 0 dist 5.25218 7.45556 5.67158 5.38839 8.31465 12.3758 numMergedOcc 0
80 mol 279 unq 7 iso 0 dist 5.25218 7.45556 5.67158 11.2306 7.88102 12.7567 numMergedOcc 0
81 mol 279 unq 8 iso 0 dist 9.51355 8.31465 11.6836 9.39866 8.87355 12.0184 numMergedOcc 0
82 mol 279 unq 9 iso 0 dist 9.51355 8.31465 11.6836 5.38839 8.18179 5.25218 numMergedOcc 0
83 mol 279 unq 10 iso 0 dist 8.31465 9.51355 11.6836 5.38839 5.25218 8.18179 numMergedOcc 0
84 mol 279 unq 11 iso 0 dist 8.31465 9.51355 11.6836 10.2609 7.88102 15.3751 numMergedOcc 0
85 mol 279 unq 12 iso 0 dist 7.88102 7.93694 4.88223 11.2306 5.25218 9.78494 numMergedOcc 0
86 mol 279 unq 13 iso 0 dist 7.88102 7.93694 4.88223 10.2609 8.31465 11.9943 numMergedOcc 0
87 mol 279 unq 14 iso 0 dist 8.76889 6.37469 11.9542 6.55493 7.04397 11.2253 numMergedOcc 0
