0 mol 8 unq 0 iso 0 dist 4.92734 7.35767 8.96553 7.0822 8.33604 8.27181 6.57999 8.4069 9.62879 13.3876 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 9.5538 7.12903 5.90976 15.2545 9.03536 8.38064 8.21493 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 5.66529 6.58035 5.94084 9.59856 5.32694 7.63133 5.47769 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 6.84569 5.46269 5.46498 5.66529 6.58035 5.94084 10.5516 5.74188 8.71745 12.1189 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 6.84569 5.46269 5.46498 6.32814 8.41862 6.73355 9.59856 5.32694 7.63133 13.0191 numMergedOcc 0
5 mol 16 unq 3 iso 0 dist 6.84569 5.46269 5.46498 6.32814 8.41862 6.73355 10.5516 5.74188 8.71745 8.16785 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 13.1473 6.77912 7.11552 10.1663 8.24309 9.78528 11.9814 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 5.00053 7.321 9.0131 12.3223 10.7394 8.8178 13.3133 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 10.1112 5.4148 9.96396 8.70133 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 19.5696 13.3558 8.70481 15.9587 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 8.46482 7.22293 7.98917 13.2962 6.9948 7.97049 9.47876 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 17.1838 10.7229 7.95579 13.6587 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 13.2962 6.9948 6.19965 9.47876 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 15.3021 8.8807 6.65086 10.5193 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 18.6091 12.6515 6.56369 15.8984 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 19.8697 13.887 9.30209 14.8726 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 17.1897 8.8807 6.65086 10.5193 numMergedOcc 0
17 mol 100 unq 4 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 21.2171 12.6515 6.56369 15.8984 numMergedOcc 0
18 mol 100 unq 5 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 22.2677 13.887 9.30209 14.8726 numMergedOcc 0
19 mol 100 unq 6 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 8.96916 5.33144 6.45675 11.8016 numMergedOcc 0
20 mol 100 unq 7 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 9.71692 10.1407 8.86688 15.6924 numMergedOcc 0
21 mol 100 unq 8 iso 0 dist 5.70279 5.85449 6.65086 11.8754 7.75343 10.9608 11.3277 5.88134 9.60661 6.58204 numMergedOcc 0
22 mol 100 unq 9 iso 0 dist 5.70279 7.68675 6.56369 11.8754 7.75343 5.69137 11.3277 5.88134 9.35224 6.58204 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.266 9.66954 6.09023 12.9647 7.69052 5.83991 8.66155 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 8.97043 11.8721 9.33865 11.6637 7.64585 10.2377 12.9647 7.69052 5.83991 12.2309 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 8.97043 5.19652 6.11741 7.266 9.66954 4.61908 12.9647 7.69052 7.88312 8.66155 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 8.97043 5.19652 6.11741 11.6637 7.64585 10.8939 12.9647 7.69052 7.88312 12.2309 numMergedOcc 0
27 mol 117 unq 0 iso 0 dist 7.0318 5.21051 7.90328 5.70073 6.62561 4.91401 11.0698 7.22206 7.83136 7.63616 numMergedOcc 0
28 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 5.70073 6.62561 4.91401 10.5123 9.3584 7.0603 10.6107 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 9.45501 6.91348 6.19596 18.591 10.7062 8.40312 12.5969 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 9.45501 6.91348 6.19596 15.0798 6.63273 7.12972 8.6243 numMergedOcc 0
31 mol 131 unq 2 iso 0 dist 8.99949 11.3502 6.85062 9.03202 9.51418 6.6499 18.591 10.7062 8.40312 13.6559 numMergedOcc 0
32 mol 131 unq 3 iso 0 dist 8.99949 11.3502 6.85062 9.03202 9.51418 6.6499 15.0798 6.63273 7.12972 12.9472 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 12.3933 5.49782 8.94367 8.79571 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 5.57904 5.00817 6.49416 8.6355 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 7.26771 5.42582 6.17103 12.3933 5.49782 9.86662 8.79571 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 5.57904 7.41837 6.54501 7.26771 8.6355 10.1448 11.3191 5.79898 9.89303 12.0514 numMergedOcc 0
37 mol 134 unq 4 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 12.3933 8.80819 8.94367 8.79571 numMergedOcc 0
38 mol 134 unq 5 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 7.27598 5.00817 6.37586 5.42582 numMergedOcc 0
39 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 11.8956 9.07935 9.49653 10.9228 5.32922 9.2313 7.15475 numMergedOcc 0
40 mol 142 unq 1 iso 0 dist 9.14908 4.39297 7.26382 11.8956 9.07935 7.53854 10.9228 5.32922 7.73169 7.15475 numMergedOcc 0
41 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 7.441 9.38946 12.8482 12.7322 7.66392 7.46303 15.9495 numMergedOcc 0
42 mol 155 unq 1 iso 0 dist 5.68636 7.92939 6.43582 6.79302 7.36102 8.27726 12.7322 7.66392 7.46303 12.1081 numMergedOcc 0
43 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 11.9162 9.36805 6.29785 7.11647 5.56175 8.94056 13.1853 numMergedOcc 0
44 mol 156 unq 1 iso 0 dist 9.19499 5.66289 7.44554 11.9162 9.36805 6.29785 13.581 8.38403 9.83699 7.55203 numMergedOcc 0
45 mol 156 unq 2 iso 0 dist 7.98018 4.68187 9.83699 4.71629 7.55203 6.29785 10.0213 8.38403 7.44554 9.36805 numMergedOcc 0
46 mol 156 unq 3 iso 0 dist 7.98018 4.68187 9.83699 4.71629 7.55203 6.29785 11.8093 11.2719 8.94056 13.1853 numMergedOcc 0
47 mol 222 unq 0 iso 0 dist 8.5834 5.01062 7.54212 4.78647 7.18956 7.61682 8.7419 6.8425 6.00706 10.8957 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 9.9234 6.87664 7.12232 10.1632 5.0744 6.60589 10.8259 numMergedOcc 0
49 mol 224 unq 1 iso 0 dist 9.73411 5.99647 5.78342 9.9234 6.87664 5.3621 10.1632 5.0744 9.16166 10.8259 numMergedOcc 0
50 mol 224 unq 2 iso 0 dist 9.73411 5.99647 5.78342 9.9234 6.87664 5.3621 7.75485 5.60236 5.81334 10.2775 numMergedOcc 0
51 mol 224 unq 3 iso 0 dist 7.07564 10.8463 6.57273 4.92261 6.87664 7.12232 12.0295 5.0744 6.60589 10.8259 numMergedOcc 0
52 mol 224 unq 4 iso 0 dist 7.07564 5.44863 5.78342 4.92261 6.87664 5.3621 12.0295 5.0744 9.16166 10.8259 numMergedOcc 0
53 mol 224 unq 5 iso 0 dist 7.07564 5.44863 5.78342 4.92261 6.87664 5.3621 9.11052 5.60236 5.81334 10.2775 numMergedOcc 0
54 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 15.2062 6.99063 9.34734 12.4085 numMergedOcc 0
55 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 12.0857 5.22356 8.65997 6.95902 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 14.9745 10.8658 7.56888 11.004 numMergedOcc 0
57 mol 227 unq 3 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 14.7829 12.4689 7.55216 12.8864 numMergedOcc 0
58 mol 227 unq 4 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 14.1483 9.51866 9.34734 14.4583 numMergedOcc 0
59 mol 227 unq 5 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 12.9898 12.4689 7.22101 15.9414 numMergedOcc 0
60 mol 227 unq 6 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 14.1659 12.9332 8.65997 18.8667 numMergedOcc 0
61 mol 227 unq 7 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 9.8971 4.48529 7.56888 12.9801 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 5.61491 7.49471 5.17471 7.64276 5.34096 7.31233 7.19008 numMergedOcc 0
63 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 13.9044 6.55759 10.4664 4.87108 5.34096 6.22714 10.5202 numMergedOcc 0
64 mol 238 unq 2 iso 0 dist 7.64276 7.45873 7.31233 13.3748 7.02475 11.2717 4.87108 5.34096 6.22714 12.1784 numMergedOcc 0
65 mol 238 unq 3 iso 0 dist 7.64276 7.45873 7.31233 11.6924 7.67322 12.6986 4.87108 5.34096 6.22714 12.1937 numMergedOcc 0
66 mol 238 unq 4 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 4.87108 5.34096 6.22714 7.49471 numMergedOcc 0
67 mol 238 unq 5 iso 0 dist 6.54455 5.17954 6.22714 6.74728 7.49471 5.17471 10.2875 5.34096 7.31233 7.19008 numMergedOcc 0
68 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 5.3935 7.66365 4.23801 13.7964 8.41807 8.1715 10.165 numMergedOcc 0
69 mol 252 unq 1 iso 0 dist 7.93609 9.76823 8.33025 5.3935 7.66365 9.37715 13.7964 8.41807 9.2288 10.165 numMergedOcc 0
70 mol 252 unq 2 iso 0 dist 7.93609 9.76823 8.33025 5.3935 7.66365 9.37715 16.2688 14.9102 7.19638 14.7097 numMergedOcc 0
71 mol 272 unq 0 iso 0 dist 7.31993 10.4451 8.46116 13.7563 9.09992 5.63139 12.3168 5.40809 8.33638 6.73206 numMergedOcc 0
72 mol 272 unq 1 iso 0 dist 7.31993 10.4451 8.46116 5.91451 6.16449 8.52877 12.3168 5.40809 8.33638 10.1966 numMergedOcc 0
