0 mol 8 unq 0 iso 0 dist 6.4754 7.06064 9.62879 4.67793 9.01112 7.12261 11.9453 8.4069 8.96553 12.536 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.57999 7.35767 9.62879 11.5556 9.01112 7.12261 4.92734 8.4069 8.96553 12.536 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 12.0268 8.09311 11.6226 17.2959 10.0952 6.86014 16.0162 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 9.10781 9.05357 13.1949 17.2959 10.0952 6.86014 16.8554 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 4.9903 6.6263 5.41726 10.615 8.13395 6.20293 6.75943 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 8.89611 7.12321 7.47371 10.1663 8.24309 9.78528 6.21799 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 11.1406 9.55118 5.69391 12.3223 10.7394 8.8178 13.6019 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 6.7212 11.6369 9.96708 8.28664 9.10345 13.4212 12.3223 10.7394 8.8178 18.0706 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 15.7072 8.68662 6.20232 10.1112 5.4148 9.96396 12.2276 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 15.7072 8.68662 6.20232 19.5696 13.3558 8.70481 13.8931 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.124 13.4367 6.19304 15.2252 7.4369 5.70116 10.1112 5.4148 9.96396 9.73086 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.124 13.4367 6.19304 15.2252 7.4369 5.70116 19.5696 13.3558 8.70481 12.8207 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 8.16299 10.3774 8.70481 6.52486 5.5087 11.2069 11.0108 14.9342 9.96396 13.3207 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 8.16299 10.3774 8.70481 6.52486 5.5087 11.2069 10.9082 13.3558 6.19304 13.8368 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 8.16299 10.3774 8.70481 10.9731 6.08682 10.6713 11.0108 14.9342 9.96396 14.498 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 8.16299 10.3774 8.70481 10.9731 6.08682 10.6713 10.9082 13.3558 6.19304 14.5999 numMergedOcc 0
16 mol 73 unq 8 iso 0 dist 8.27015 12.6626 8.70481 13.0059 5.5087 11.2069 20.562 14.9342 9.96396 13.3207 numMergedOcc 0
17 mol 73 unq 9 iso 0 dist 8.27015 12.6626 8.70481 13.0059 5.5087 11.2069 17.327 13.3558 6.19304 13.8368 numMergedOcc 0
18 mol 73 unq 10 iso 0 dist 8.27015 12.6626 8.70481 14.1533 6.08682 10.6713 20.562 14.9342 9.96396 14.498 numMergedOcc 0
19 mol 73 unq 11 iso 0 dist 8.27015 12.6626 8.70481 14.1533 6.08682 10.6713 17.327 13.3558 6.19304 14.5999 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 10.5559 7.82475 5.9143 15.3021 8.8807 6.65086 11.9928 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 10.5559 7.82475 5.9143 18.6091 12.6515 6.56369 10.694 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 10.5559 7.82475 5.9143 19.8697 13.887 9.30209 14.966 numMergedOcc 0
23 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 11.1947 5.35782 5.47563 15.3021 8.8807 6.65086 9.94341 numMergedOcc 0
24 mol 100 unq 4 iso 0 dist 8.92577 12.0555 7.47343 11.1947 5.35782 5.47563 18.6091 12.6515 6.56369 9.82522 numMergedOcc 0
25 mol 100 unq 5 iso 0 dist 8.92577 12.0555 7.47343 11.1947 5.35782 5.47563 19.8697 13.887 9.30209 13.4844 numMergedOcc 0
26 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 15.353 7.82475 5.9143 17.1897 8.8807 6.65086 11.9928 numMergedOcc 0
27 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 15.353 7.82475 5.9143 21.2171 12.6515 6.56369 10.694 numMergedOcc 0
28 mol 100 unq 8 iso 0 dist 9.56324 16.8752 7.47343 15.353 7.82475 5.9143 22.2677 13.887 9.30209 14.966 numMergedOcc 0
29 mol 100 unq 9 iso 0 dist 9.56324 16.8752 7.47343 12.9628 5.35782 5.47563 17.1897 8.8807 6.65086 9.94341 numMergedOcc 0
30 mol 100 unq 10 iso 0 dist 9.56324 16.8752 7.47343 12.9628 5.35782 5.47563 21.2171 12.6515 6.56369 9.82522 numMergedOcc 0
31 mol 100 unq 11 iso 0 dist 9.56324 16.8752 7.47343 12.9628 5.35782 5.47563 22.2677 13.887 9.30209 13.4844 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 7.51061 5.29855 7.34473 6.98893 6.29161 6.73011 11.8872 7 8.58044 11.0751 numMergedOcc 0
33 mol 109 unq 1 iso 0 dist 7.51061 5.29855 7.34473 6.98893 6.29161 6.73011 10.7963 8.40993 9.97763 13.6787 numMergedOcc 0
34 mol 109 unq 2 iso 0 dist 7.51061 5.29855 7.34473 11.231 7.86666 13.0886 11.8872 7 8.58044 14.3511 numMergedOcc 0
35 mol 109 unq 3 iso 0 dist 7.51061 5.29855 7.34473 11.231 7.86666 13.0886 10.7963 8.40993 9.97763 15.7916 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.34308 6.39384 6.63111 12.9647 7.69052 5.83991 9.42082 numMergedOcc 0
37 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 7.34308 6.39384 6.07067 12.9647 7.69052 7.88312 9.42082 numMergedOcc 0
38 mol 117 unq 0 iso 0 dist 7.0318 5.21051 7.90328 7.5937 6.10127 10.5783 11.0698 7.22206 7.83136 11.6387 numMergedOcc 0
39 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 7.5937 6.10127 10.5783 10.5123 9.3584 7.0603 14.762 numMergedOcc 0
40 mol 131 unq 0 iso 0 dist 9.33945 12.3624 8.40312 9.88758 9.27976 3.98662 14.2573 5.55373 7.12972 10.0551 numMergedOcc 0
41 mol 131 unq 1 iso 0 dist 9.33945 12.3624 8.40312 9.88758 9.27976 3.98662 17.4482 10.7062 6.85062 10.7579 numMergedOcc 0
42 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 5.37122 8.26547 5.03174 14.9707 6.761 9.91388 12.4934 numMergedOcc 0
43 mol 133 unq 1 iso 0 dist 9.79004 10.0277 7.24514 5.37122 8.26547 5.03174 16.8376 7.6656 9.52634 13.5471 numMergedOcc 0
44 mol 133 unq 2 iso 0 dist 9.79004 7.33132 8.22656 5.37122 8.26547 4.88025 8.43069 5.61668 6.82262 9.05342 numMergedOcc 0
45 mol 133 unq 3 iso 0 dist 8.43069 7.33132 6.82262 5.37122 9.05342 4.88025 9.79004 5.61668 8.22656 8.26547 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 4.70162 9.33924 6.95573 12.3933 5.49782 8.94367 13.9752 numMergedOcc 0
47 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 4.70162 9.33924 6.95573 5.57904 5.00817 6.49416 9.55584 numMergedOcc 0
48 mol 134 unq 2 iso 0 dist 7.27598 6.50005 6.37586 12.487 7.93372 8.06642 12.3933 5.49782 8.94367 7.21868 numMergedOcc 0
49 mol 134 unq 3 iso 0 dist 7.27598 6.50005 6.37586 12.487 7.93372 8.06642 5.57904 5.00817 6.49416 11.988 numMergedOcc 0
50 mol 134 unq 4 iso 0 dist 7.27598 12.0971 9.71307 4.70162 9.33924 10.2026 12.3933 5.49782 9.86662 13.9752 numMergedOcc 0
51 mol 134 unq 5 iso 0 dist 7.27598 12.0971 9.71307 12.487 7.93372 4.00092 12.3933 5.49782 9.86662 7.21868 numMergedOcc 0
52 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 9.15345 6.14151 4.67662 10.9228 5.32922 9.2313 7.81207 numMergedOcc 0
53 mol 142 unq 1 iso 0 dist 9.14908 4.39297 7.26382 9.15345 6.14151 5.81599 10.9228 5.32922 7.73169 7.81207 numMergedOcc 0
54 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 11.9701 9.76212 12.9532 10.3907 8.88798 5.98885 13.2783 numMergedOcc 0
55 mol 181 unq 1 iso 0 dist 8.90247 5.114 9.1374 11.9701 9.76212 12.9532 13.7299 12.1628 9.15386 18.2853 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 15.2062 6.99063 9.34734 10.7855 numMergedOcc 0
57 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 12.0857 5.22356 8.65997 6.91318 numMergedOcc 0
58 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 14.9745 10.8658 7.56888 11.2661 numMergedOcc 0
59 mol 227 unq 3 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 14.7829 12.4689 7.55216 12.3663 numMergedOcc 0
60 mol 238 unq 0 iso 0 dist 7.64276 7.45873 7.31233 4.48114 9.12776 10.3162 4.87108 5.34096 6.22714 8.69015 numMergedOcc 0
