0 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 10.5516 5.74188 8.71745 12.1189 10.4155 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 6.84569 5.46269 5.46498 5.66529 6.58035 5.94084 10.5516 5.74188 8.71745 12.1189 9.59856 5.32694 7.63133 5.47769 10.4155 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.84569 5.46269 5.46498 6.32814 8.41862 6.73355 9.59856 5.32694 7.63133 13.0191 10.5516 5.74188 8.71745 8.16785 10.4155 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 6.84569 5.46269 5.46498 6.32814 8.41862 6.73355 10.5516 5.74188 8.71745 8.16785 9.59856 5.32694 7.63133 13.0191 10.4155 numMergedOcc 0
4 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 19.5696 13.3558 8.70481 15.9587 14.9342 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 19.5696 13.3558 8.70481 15.9587 10.1112 5.4148 9.96396 8.70133 14.9342 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 17.1838 10.7229 7.95579 13.6587 13.2962 6.9948 6.19965 9.47876 4.26409 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 13.2962 6.9948 6.19965 9.47876 17.1838 10.7229 7.95579 13.6587 4.26409 numMergedOcc 0
8 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 18.6091 12.6515 6.56369 15.8984 7.80879 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 18.6091 12.6515 6.56369 15.8984 15.3021 8.8807 6.65086 10.5193 7.80879 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 15.3021 8.8807 6.65086 10.5193 19.8697 13.887 9.30209 14.8726 5.38414 numMergedOcc 0
11 mol 100 unq 1 iso 1 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 19.8697 13.887 9.30209 14.8726 15.3021 8.8807 6.65086 10.5193 5.38414 numMergedOcc 0
12 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 19.8697 13.887 9.30209 14.8726 6.39938 numMergedOcc 0
13 mol 100 unq 1 iso 1 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 19.8697 13.887 9.30209 14.8726 18.6091 12.6515 6.56369 15.8984 6.39938 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 17.1897 8.8807 6.65086 10.5193 21.2171 12.6515 6.56369 15.8984 7.80879 numMergedOcc 0
15 mol 100 unq 2 iso 1 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 21.2171 12.6515 6.56369 15.8984 17.1897 8.8807 6.65086 10.5193 7.80879 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 22.2677 13.887 9.30209 14.8726 5.38414 numMergedOcc 0
17 mol 100 unq 3 iso 1 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 22.2677 13.887 9.30209 14.8726 17.1897 8.8807 6.65086 10.5193 5.38414 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 21.2171 12.6515 6.56369 15.8984 22.2677 13.887 9.30209 14.8726 6.39938 numMergedOcc 0
19 mol 100 unq 3 iso 1 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 22.2677 13.887 9.30209 14.8726 21.2171 12.6515 6.56369 15.8984 6.39938 numMergedOcc 0
20 mol 100 unq 4 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 8.96916 5.33144 6.45675 11.8016 9.71692 10.1407 8.86688 15.6924 9.71151 numMergedOcc 0
21 mol 100 unq 4 iso 1 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 9.71692 10.1407 8.86688 15.6924 8.96916 5.33144 6.45675 11.8016 9.71151 numMergedOcc 0
22 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 10.5123 9.3584 7.0603 10.6107 7.21564 numMergedOcc 0
23 mol 117 unq 0 iso 1 dist 7.0318 5.21051 7.90328 5.70073 6.62561 4.91401 10.5123 9.3584 7.0603 10.6107 11.0698 7.22206 7.83136 7.63616 7.21564 numMergedOcc 0
24 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 15.0798 6.63273 7.12972 8.6243 5.55373 numMergedOcc 0
25 mol 131 unq 0 iso 1 dist 8.99949 11.3502 6.85062 9.45501 6.91348 6.19596 15.0798 6.63273 7.12972 8.6243 18.591 10.7062 8.40312 12.5969 5.55373 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 9.03202 9.51418 6.6499 18.591 10.7062 8.40312 13.6559 15.0798 6.63273 7.12972 12.9472 5.55373 numMergedOcc 0
27 mol 131 unq 1 iso 1 dist 8.99949 11.3502 6.85062 9.03202 9.51418 6.6499 15.0798 6.63273 7.12972 12.9472 18.591 10.7062 8.40312 13.6559 5.55373 numMergedOcc 0
28 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 5.57904 5.00817 6.49416 8.6355 8.80819 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 5.57904 5.00817 6.49416 8.6355 12.3933 5.49782 8.94367 8.79571 8.80819 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 12.3933 8.80819 8.94367 8.79571 7.27598 5.00817 6.37586 5.42582 5.49782 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 7.27598 5.00817 6.37586 5.42582 12.3933 8.80819 8.94367 8.79571 5.49782 numMergedOcc 0
32 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 13.581 8.38403 9.83699 7.55203 11.2719 numMergedOcc 0
33 mol 156 unq 0 iso 1 dist 9.19499 5.66289 7.44554 11.9162 9.36805 6.29785 13.581 8.38403 9.83699 7.55203 7.11647 5.56175 8.94056 13.1853 11.2719 numMergedOcc 0
34 mol 156 unq 1 iso 0 dist 7.98018 4.68187 9.83699 4.71629 7.55203 6.29785 10.0213 8.38403 7.44554 9.36805 11.8093 11.2719 8.94056 13.1853 5.56175 numMergedOcc 0
35 mol 156 unq 1 iso 1 dist 7.98018 4.68187 9.83699 4.71629 7.55203 6.29785 11.8093 11.2719 8.94056 13.1853 10.0213 8.38403 7.44554 9.36805 5.56175 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 9.73411 5.99647 5.78342 9.9234 6.87664 5.3621 10.1632 5.0744 9.16166 10.8259 7.75485 5.60236 5.81334 10.2775 6.91102 numMergedOcc 0
37 mol 224 unq 0 iso 1 dist 9.73411 5.99647 5.78342 9.9234 6.87664 5.3621 7.75485 5.60236 5.81334 10.2775 10.1632 5.0744 9.16166 10.8259 6.91102 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 7.07564 5.44863 5.78342 4.92261 6.87664 5.3621 12.0295 5.0744 9.16166 10.8259 9.11052 5.60236 5.81334 10.2775 6.91102 numMergedOcc 0
39 mol 224 unq 1 iso 1 dist 7.07564 5.44863 5.78342 4.92261 6.87664 5.3621 9.11052 5.60236 5.81334 10.2775 12.0295 5.0744 9.16166 10.8259 6.91102 numMergedOcc 0
40 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 12.0857 5.22356 8.65997 6.95902 7.60506 numMergedOcc 0
41 mol 227 unq 0 iso 1 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 12.0857 5.22356 8.65997 6.95902 15.2062 6.99063 9.34734 12.4085 7.60506 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 15.2062 6.99063 9.34734 12.4085 14.9745 10.8658 7.56888 11.004 7.43198 numMergedOcc 0
43 mol 227 unq 1 iso 1 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 14.9745 10.8658 7.56888 11.004 15.2062 6.99063 9.34734 12.4085 7.43198 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 15.2062 6.99063 9.34734 12.4085 14.7829 12.4689 7.55216 12.8864 9.51866 numMergedOcc 0
45 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 14.7829 12.4689 7.55216 12.8864 15.2062 6.99063 9.34734 12.4085 9.51866 numMergedOcc 0
46 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 14.9745 10.8658 7.56888 11.004 9.70012 numMergedOcc 0
47 mol 227 unq 1 iso 1 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 14.9745 10.8658 7.56888 11.004 12.0857 5.22356 8.65997 6.95902 9.70012 numMergedOcc 0
48 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 12.0857 5.22356 8.65997 6.95902 14.7829 12.4689 7.55216 12.8864 12.9332 numMergedOcc 0
49 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 14.7829 12.4689 7.55216 12.8864 12.0857 5.22356 8.65997 6.95902 12.9332 numMergedOcc 0
50 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 14.7829 12.4689 7.55216 12.8864 4.48529 numMergedOcc 0
51 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 14.7829 12.4689 7.55216 12.8864 14.9745 10.8658 7.56888 11.004 4.48529 numMergedOcc 0
52 mol 227 unq 3 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 14.1483 9.51866 9.34734 14.4583 12.9898 12.4689 7.22101 15.9414 6.99063 numMergedOcc 0
53 mol 227 unq 3 iso 1 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 12.9898 12.4689 7.22101 15.9414 14.1483 9.51866 9.34734 14.4583 6.99063 numMergedOcc 0
54 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 14.1659 12.9332 8.65997 18.8667 7.60506 numMergedOcc 0
55 mol 227 unq 4 iso 1 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 14.1659 12.9332 8.65997 18.8667 14.1483 9.51866 9.34734 14.4583 7.60506 numMergedOcc 0
56 mol 227 unq 5 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 14.1483 9.51866 9.34734 14.4583 9.8971 4.48529 7.56888 12.9801 7.43198 numMergedOcc 0
57 mol 227 unq 5 iso 1 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 9.8971 4.48529 7.56888 12.9801 14.1483 9.51866 9.34734 14.4583 7.43198 numMergedOcc 0
58 mol 227 unq 4 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 12.9898 12.4689 7.22101 15.9414 14.1659 12.9332 8.65997 18.8667 5.22356 numMergedOcc 0
59 mol 227 unq 4 iso 1 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 14.1659 12.9332 8.65997 18.8667 12.9898 12.4689 7.22101 15.9414 5.22356 numMergedOcc 0
60 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 9.8971 4.48529 7.56888 12.9801 10.8658 numMergedOcc 0
61 mol 227 unq 5 iso 1 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 9.8971 4.48529 7.56888 12.9801 12.9898 12.4689 7.22101 15.9414 10.8658 numMergedOcc 0
62 mol 227 unq 5 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 14.1659 12.9332 8.65997 18.8667 9.8971 4.48529 7.56888 12.9801 9.70012 numMergedOcc 0
63 mol 227 unq 5 iso 1 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 9.8971 4.48529 7.56888 12.9801 14.1659 12.9332 8.65997 18.8667 9.70012 numMergedOcc 0
64 mol 252 unq 0 iso 0 dist 7.93609 9.76823 8.33025 5.3935 7.66365 9.37715 13.7964 8.41807 9.2288 10.165 16.2688 14.9102 7.19638 14.7097 11.7918 numMergedOcc 0
65 mol 252 unq 0 iso 1 dist 7.93609 9.76823 8.33025 5.3935 7.66365 9.37715 16.2688 14.9102 7.19638 14.7097 13.7964 8.41807 9.2288 10.165 11.7918 numMergedOcc 0
