0 mol 7 unq 0 iso 0 dist 7.5298 13.8023 8.94874 14.06 7.21217 5.77391 12.3221 6.09254 11.9671 7.10621 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.94874 13.8023 7.5298 5.77391 7.21217 14.06 11.9671 6.09254 12.3221 7.10621 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.58709 7.90905 7.53564 9.69698 9.74445 5.90113 15.7652 10.323 9.17086 8.80331 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 7.53564 7.90905 8.58709 5.90113 9.74445 9.69698 9.17086 10.323 15.7652 8.80331 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.58709 7.90905 7.53564 9.69698 9.74445 5.90113 15.8918 14.445 10.615 6.20293 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 7.53564 7.90905 8.58709 5.90113 9.74445 9.69698 10.615 14.445 15.8918 6.20293 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.84699 13.6926 7.53504 13.4367 6.89722 9.64124 10.1112 10.4716 16.3948 9.96396 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 7.53504 13.6926 7.84699 9.64124 6.89722 13.4367 16.3948 10.4716 10.1112 9.96396 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.84699 13.6926 7.53504 13.4367 6.89722 9.64124 8.124 5.2774 11.801 6.19304 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 7.53504 13.6926 7.84699 9.64124 6.89722 13.4367 11.801 5.2774 8.124 6.19304 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.84699 13.6926 7.53504 13.4367 6.89722 9.64124 19.5696 13.9156 12.2721 8.70481 numMergedOcc 0
11 mol 73 unq 2 iso 1 dist 7.53504 13.6926 7.84699 9.64124 6.89722 13.4367 12.2721 13.9156 19.5696 8.70481 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 8.40844 14.5875 7.02351 5.33851 9.68526 13.6586 10.1112 8.31041 11.0108 9.38498 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 7.02351 14.5875 8.40844 13.6586 9.68526 5.33851 11.0108 8.31041 10.1112 9.38498 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 8.40844 14.5875 7.02351 13.4367 7.26679 10.3774 10.1112 8.31041 11.0108 9.96396 numMergedOcc 0
15 mol 73 unq 4 iso 1 dist 7.02351 14.5875 8.40844 10.3774 7.26679 13.4367 11.0108 8.31041 10.1112 9.96396 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 8.40844 14.5875 7.02351 13.4367 7.26679 10.3774 8.124 5.44275 10.9082 6.19304 numMergedOcc 0
17 mol 73 unq 5 iso 1 dist 7.02351 14.5875 8.40844 10.3774 7.26679 13.4367 10.9082 5.44275 8.124 6.19304 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 8.40844 14.5875 7.02351 13.4367 7.26679 10.3774 19.5696 11.2674 8.16299 8.70481 numMergedOcc 0
19 mol 73 unq 6 iso 1 dist 7.02351 14.5875 8.40844 10.3774 7.26679 13.4367 8.16299 11.2674 19.5696 8.70481 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 8.40844 14.5875 7.02351 15.7164 9.30776 4.15333 10.1112 8.31041 11.0108 9.75218 numMergedOcc 0
21 mol 73 unq 7 iso 1 dist 7.02351 14.5875 8.40844 4.15333 9.30776 15.7164 11.0108 8.31041 10.1112 9.75218 numMergedOcc 0
22 mol 73 unq 8 iso 0 dist 8.40844 13.6926 8.66342 5.33851 9.68526 16.8585 10.1112 8.31041 16.3948 9.38498 numMergedOcc 0
23 mol 73 unq 8 iso 1 dist 8.66342 13.6926 8.40844 16.8585 9.68526 5.33851 16.3948 8.31041 10.1112 9.38498 numMergedOcc 0
24 mol 73 unq 9 iso 0 dist 8.40844 13.6926 8.66342 13.4367 7.26679 9.64124 10.1112 8.31041 16.3948 9.96396 numMergedOcc 0
25 mol 73 unq 9 iso 1 dist 8.66342 13.6926 8.40844 9.64124 7.26679 13.4367 16.3948 8.31041 10.1112 9.96396 numMergedOcc 0
26 mol 73 unq 10 iso 0 dist 8.40844 13.6926 8.66342 13.4367 7.26679 9.64124 8.124 5.44275 11.801 6.19304 numMergedOcc 0
27 mol 73 unq 10 iso 1 dist 8.66342 13.6926 8.40844 9.64124 7.26679 13.4367 11.801 5.44275 8.124 6.19304 numMergedOcc 0
28 mol 73 unq 11 iso 0 dist 8.40844 13.6926 8.66342 13.4367 7.26679 9.64124 19.5696 11.2674 12.2721 8.70481 numMergedOcc 0
29 mol 73 unq 11 iso 1 dist 8.66342 13.6926 8.40844 9.64124 7.26679 13.4367 12.2721 11.2674 19.5696 8.70481 numMergedOcc 0
30 mol 73 unq 12 iso 0 dist 8.40844 13.6926 8.66342 15.7164 9.30776 16.0481 10.1112 8.31041 16.3948 9.75218 numMergedOcc 0
31 mol 73 unq 12 iso 1 dist 8.66342 13.6926 8.40844 16.0481 9.30776 15.7164 16.3948 8.31041 10.1112 9.75218 numMergedOcc 0
32 mol 73 unq 13 iso 0 dist 6.99156 13.6926 7.21285 5.33851 9.72442 16.8585 10.1112 11.7069 16.3948 9.38498 numMergedOcc 0
33 mol 73 unq 13 iso 1 dist 7.21285 13.6926 6.99156 16.8585 9.72442 5.33851 16.3948 11.7069 10.1112 9.38498 numMergedOcc 0
34 mol 73 unq 8 iso 0 dist 7.02351 12.3241 8.66342 13.6586 9.68526 16.8585 11.0108 8.31041 16.3948 9.38498 numMergedOcc 0
35 mol 73 unq 8 iso 1 dist 8.66342 12.3241 7.02351 16.8585 9.68526 13.6586 16.3948 8.31041 11.0108 9.38498 numMergedOcc 0
36 mol 73 unq 9 iso 0 dist 7.02351 12.3241 8.66342 10.3774 7.26679 9.64124 11.0108 8.31041 16.3948 9.96396 numMergedOcc 0
37 mol 73 unq 9 iso 1 dist 8.66342 12.3241 7.02351 9.64124 7.26679 10.3774 16.3948 8.31041 11.0108 9.96396 numMergedOcc 0
38 mol 73 unq 10 iso 0 dist 7.02351 12.3241 8.66342 10.3774 7.26679 9.64124 10.9082 5.44275 11.801 6.19304 numMergedOcc 0
39 mol 73 unq 10 iso 1 dist 8.66342 12.3241 7.02351 9.64124 7.26679 10.3774 11.801 5.44275 10.9082 6.19304 numMergedOcc 0
40 mol 73 unq 11 iso 0 dist 7.02351 12.3241 8.66342 10.3774 7.26679 9.64124 8.16299 11.2674 12.2721 8.70481 numMergedOcc 0
41 mol 73 unq 11 iso 1 dist 8.66342 12.3241 7.02351 9.64124 7.26679 10.3774 12.2721 11.2674 8.16299 8.70481 numMergedOcc 0
42 mol 73 unq 12 iso 0 dist 7.02351 12.3241 8.66342 4.15333 9.30776 16.0481 11.0108 8.31041 16.3948 9.75218 numMergedOcc 0
43 mol 73 unq 12 iso 1 dist 8.66342 12.3241 7.02351 16.0481 9.30776 4.15333 16.3948 8.31041 11.0108 9.75218 numMergedOcc 0
44 mol 102 unq 0 iso 0 dist 9.61113 12.0662 7.73836 13.9809 9.01767 5.09542 12.1389 6.42572 9.84673 7.36792 numMergedOcc 0
45 mol 102 unq 0 iso 1 dist 7.73836 12.0662 9.61113 5.09542 9.01767 13.9809 9.84673 6.42572 12.1389 7.36792 numMergedOcc 0
46 mol 130 unq 0 iso 0 dist 8.26291 13.7304 7.86001 10.9365 7.83619 5.63567 13.2314 10.0837 12.6804 9.28393 numMergedOcc 0
47 mol 130 unq 0 iso 1 dist 7.86001 13.7304 8.26291 5.63567 7.83619 10.9365 12.6804 10.0837 13.2314 9.28393 numMergedOcc 0
48 mol 142 unq 0 iso 0 dist 5.1557 10.9934 9.5355 6.01403 7.57458 8.68855 14.3662 13.1936 7.15087 9.2313 numMergedOcc 0
49 mol 142 unq 0 iso 1 dist 9.5355 10.9934 5.1557 8.68855 7.57458 6.01403 7.15087 13.1936 14.3662 9.2313 numMergedOcc 0
50 mol 142 unq 1 iso 0 dist 5.1557 10.9934 9.5355 6.01403 7.57458 8.68855 13.2109 12.288 10.5719 7.73169 numMergedOcc 0
51 mol 142 unq 1 iso 1 dist 9.5355 10.9934 5.1557 8.68855 7.57458 6.01403 10.5719 12.288 13.2109 7.73169 numMergedOcc 0
52 mol 142 unq 2 iso 0 dist 5.1557 10.9934 9.5355 6.01403 7.57458 8.68855 13.7988 14.2067 15.3413 8.96657 numMergedOcc 0
53 mol 142 unq 2 iso 1 dist 9.5355 10.9934 5.1557 8.68855 7.57458 6.01403 15.3413 14.2067 13.7988 8.96657 numMergedOcc 0
54 mol 156 unq 0 iso 0 dist 6.67598 14.2743 8.34508 5.66289 7.30021 12.7636 9.19499 5.0966 9.97623 7.44554 numMergedOcc 0
55 mol 156 unq 0 iso 1 dist 8.34508 14.2743 6.67598 12.7636 7.30021 5.66289 9.97623 5.0966 9.19499 7.44554 numMergedOcc 0
56 mol 156 unq 1 iso 0 dist 6.67598 14.2743 8.34508 5.66289 7.30021 12.7636 7.11647 5.75141 13.465 8.94056 numMergedOcc 0
57 mol 156 unq 1 iso 1 dist 8.34508 14.2743 6.67598 12.7636 7.30021 5.66289 13.465 5.75141 7.11647 8.94056 numMergedOcc 0
58 mol 156 unq 2 iso 0 dist 6.67598 14.2743 8.34508 5.66289 7.30021 12.7636 13.581 12.865 16.944 9.83699 numMergedOcc 0
59 mol 156 unq 2 iso 1 dist 8.34508 14.2743 6.67598 12.7636 7.30021 5.66289 16.944 12.865 13.581 9.83699 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 7.7163 5.51581 9.06201 11.8217 9.34636 11.9904 7.07564 5.63485 10.9817 8.95269 numMergedOcc 0
61 mol 224 unq 0 iso 1 dist 9.06201 5.51581 7.7163 11.9904 9.34636 11.8217 10.9817 5.63485 7.07564 8.95269 numMergedOcc 0
62 mol 224 unq 1 iso 0 dist 7.7163 5.51581 9.06201 10.8463 9.79616 13.0574 7.07564 5.63485 10.9817 6.57273 numMergedOcc 0
63 mol 224 unq 1 iso 1 dist 9.06201 5.51581 7.7163 13.0574 9.79616 10.8463 10.9817 5.63485 7.07564 6.57273 numMergedOcc 0
64 mol 224 unq 2 iso 0 dist 7.7163 5.51581 9.06201 10.8463 9.79616 13.0574 12.0295 9.36962 15.8289 6.60589 numMergedOcc 0
65 mol 224 unq 2 iso 1 dist 9.06201 5.51581 7.7163 13.0574 9.79616 10.8463 15.8289 9.36962 12.0295 6.60589 numMergedOcc 0
66 mol 230 unq 0 iso 0 dist 5.00735 10.6003 9.27643 6.33989 8.43766 6.63414 5.62804 7.07028 10.8539 6.7547 numMergedOcc 0
67 mol 230 unq 0 iso 1 dist 9.27643 10.6003 5.00735 6.63414 8.43766 6.33989 10.8539 7.07028 5.62804 6.7547 numMergedOcc 0
68 mol 252 unq 0 iso 0 dist 8.04265 7.56661 9.42193 14.8036 9.73021 14.864 19.1239 16.5881 20.6773 8.33025 numMergedOcc 0
69 mol 252 unq 0 iso 1 dist 9.42193 7.56661 8.04265 14.864 9.73021 14.8036 20.6773 16.5881 19.1239 8.33025 numMergedOcc 0
70 mol 252 unq 1 iso 0 dist 8.04265 7.56661 9.42193 14.8036 9.73021 14.864 15.1557 12.5855 19.2417 9.2288 numMergedOcc 0
71 mol 252 unq 1 iso 1 dist 9.42193 7.56661 8.04265 14.864 9.73021 14.8036 19.2417 12.5855 15.1557 9.2288 numMergedOcc 0
72 mol 252 unq 2 iso 0 dist 8.04265 7.56661 9.42193 14.8036 9.73021 14.864 13.0796 5.26867 13.4304 7.19638 numMergedOcc 0
73 mol 252 unq 2 iso 1 dist 9.42193 7.56661 8.04265 14.864 9.73021 14.8036 13.4304 5.26867 13.0796 7.19638 numMergedOcc 0
74 mol 274 unq 0 iso 0 dist 9.96645 7.90361 9.2447 6.04536 9.696 6.12463 12.1604 10.7962 12.2117 7.56915 numMergedOcc 0
75 mol 274 unq 0 iso 1 dist 9.2447 7.90361 9.96645 6.12463 9.696 6.04536 12.2117 10.7962 12.1604 7.56915 numMergedOcc 0
76 mol 274 unq 1 iso 0 dist 9.96645 7.90361 9.2447 6.04536 9.696 6.12463 11.4986 5.1874 10.1296 8.49997 numMergedOcc 0
77 mol 274 unq 1 iso 1 dist 9.2447 7.90361 9.96645 6.12463 9.696 6.04536 10.1296 5.1874 11.4986 8.49997 numMergedOcc 0
