0 mol 10 unq 0 iso 0 dist 8.00369 7.99067 5.59965 9.69704 6.18431 3.92592 5.4745 9.07726 5.53712 7.06787 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 8.00369 7.99067 5.59965 5.4745 9.07726 5.53712 9.69704 6.18431 3.92592 7.06787 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.2004 7.72688 8.00171 7.19293 9.85784 5.70626 5.56258 9.87996 5.62738 3.75822 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.2004 7.72688 8.00171 5.56258 9.87996 5.62738 7.19293 9.85784 5.70626 3.75822 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.2004 4.82556 5.95834 7.19293 9.85784 11.6859 5.56258 9.87996 9.80106 3.75822 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.2004 4.82556 5.95834 5.56258 9.87996 9.80106 7.19293 9.85784 11.6859 3.75822 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.2004 6.25108 4.2121 7.19293 9.85784 11.076 5.56258 9.87996 9.68535 3.75822 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 6.2004 6.25108 4.2121 5.56258 9.87996 9.68535 7.19293 9.85784 11.076 3.75822 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.2004 11.8207 6.72323 7.19293 9.85784 14.6305 5.56258 9.87996 14.3224 3.75822 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 6.2004 11.8207 6.72323 5.56258 9.87996 14.3224 7.19293 9.85784 14.6305 3.75822 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 4.90592 10.0715 6.72323 8.10397 6.61696 4.08755 9.57743 5.80953 10.0453 10.7501 numMergedOcc 0
11 mol 24 unq 4 iso 1 dist 4.90592 10.0715 6.72323 9.57743 5.80953 10.0453 8.10397 6.61696 4.08755 10.7501 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 9.36461 11.9395 6.72323 13.8334 6.61696 4.08755 4.47891 5.80953 10.0453 10.7501 numMergedOcc 0
13 mol 24 unq 5 iso 1 dist 9.36461 11.9395 6.72323 4.47891 5.80953 10.0453 13.8334 6.61696 4.08755 10.7501 numMergedOcc 0
14 mol 30 unq 0 iso 0 dist 6.55815 5.60789 7.14464 4.60505 6.00377 5.0755 6.70839 9.35623 5.39349 3.6458 numMergedOcc 0
15 mol 30 unq 0 iso 1 dist 6.55815 5.60789 7.14464 6.70839 9.35623 5.39349 4.60505 6.00377 5.0755 3.6458 numMergedOcc 0
16 mol 30 unq 1 iso 0 dist 6.55815 5.60789 7.14464 4.60505 6.00377 5.0755 8.85891 9.4577 4.02746 6.23294 numMergedOcc 0
17 mol 30 unq 1 iso 1 dist 6.55815 5.60789 7.14464 8.85891 9.4577 4.02746 4.60505 6.00377 5.0755 6.23294 numMergedOcc 0
18 mol 30 unq 1 iso 0 dist 6.55815 5.60789 7.14464 6.70839 9.35623 5.39349 8.85891 9.4577 4.02746 4.77197 numMergedOcc 0
19 mol 30 unq 1 iso 1 dist 6.55815 5.60789 7.14464 8.85891 9.4577 4.02746 6.70839 9.35623 5.39349 4.77197 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 6.48232 7.86177 8.87464 10.9746 8.96616 5.29727 7.8972 6.14542 3.85385 3.30399 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 6.48232 7.86177 8.87464 7.8972 6.14542 3.85385 10.9746 8.96616 5.29727 3.30399 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 8.70863 8.31077 9.66222 12.7386 5.05893 11.0952 14.1999 5.71866 12.5181 3.78063 numMergedOcc 0
23 mol 85 unq 0 iso 1 dist 8.70863 8.31077 9.66222 14.1999 5.71866 12.5181 12.7386 5.05893 11.0952 3.78063 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 9.77017 7.22444 7.80873 8.59786 8.72725 8.72143 9.00531 6.11407 5.08111 5.11 numMergedOcc 0
25 mol 112 unq 0 iso 1 dist 9.77017 7.22444 7.80873 9.00531 6.11407 5.08111 8.59786 8.72725 8.72143 5.11 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 9.78667 8.69924 9.83945 12.6553 7.42144 16.2294 13.5035 6.27658 15.9806 3.3724 numMergedOcc 0
27 mol 141 unq 0 iso 1 dist 9.78667 8.69924 9.83945 13.5035 6.27658 15.9806 12.6553 7.42144 16.2294 3.3724 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 8.47026 9.33878 9.83945 10.1588 7.42144 16.2294 11.7454 6.27658 15.9806 3.3724 numMergedOcc 0
29 mol 141 unq 1 iso 1 dist 8.47026 9.33878 9.83945 11.7454 6.27658 15.9806 10.1588 7.42144 16.2294 3.3724 numMergedOcc 0
30 mol 171 unq 0 iso 0 dist 7.32555 9.8515 7.22518 5.70722 9.34834 14.0016 8.34756 5.74846 11.4302 6.47468 numMergedOcc 0
31 mol 171 unq 0 iso 1 dist 7.32555 9.8515 7.22518 8.34756 5.74846 11.4302 5.70722 9.34834 14.0016 6.47468 numMergedOcc 0
32 mol 171 unq 1 iso 0 dist 7.32555 9.54524 5.25109 5.70722 9.34834 10.0655 8.34756 5.74846 4.88147 6.47468 numMergedOcc 0
33 mol 171 unq 1 iso 1 dist 7.32555 9.54524 5.25109 8.34756 5.74846 4.88147 5.70722 9.34834 10.0655 6.47468 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 6.37788 8.43261 6.1886 5.28603 4.19371 4.002 10.7058 9.71015 7.09553 6.41254 numMergedOcc 0
35 mol 194 unq 0 iso 1 dist 6.37788 8.43261 6.1886 10.7058 9.71015 7.09553 5.28603 4.19371 4.002 6.41254 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 8.7028 13.8424 6.1886 11.0713 4.19371 4.002 16.9177 9.71015 7.09553 6.41254 numMergedOcc 0
37 mol 194 unq 1 iso 1 dist 8.7028 13.8424 6.1886 16.9177 9.71015 7.09553 11.0713 4.19371 4.002 6.41254 numMergedOcc 0
38 mol 196 unq 0 iso 0 dist 9.76411 6.02503 9.62455 6.66311 8.48879 5.40367 10.8013 5.89591 11.2785 7.12401 numMergedOcc 0
39 mol 196 unq 0 iso 1 dist 9.76411 6.02503 9.62455 10.8013 5.89591 11.2785 6.66311 8.48879 5.40367 7.12401 numMergedOcc 0
40 mol 196 unq 1 iso 0 dist 9.76411 6.02503 9.62455 6.66311 8.48879 5.40367 17.0364 9.72376 17.7382 13.9022 numMergedOcc 0
41 mol 196 unq 1 iso 1 dist 9.76411 6.02503 9.62455 17.0364 9.72376 17.7382 6.66311 8.48879 5.40367 13.9022 numMergedOcc 0
42 mol 196 unq 1 iso 0 dist 9.76411 6.02503 9.62455 10.8013 5.89591 11.2785 17.0364 9.72376 17.7382 6.81108 numMergedOcc 0
43 mol 196 unq 1 iso 1 dist 9.76411 6.02503 9.62455 17.0364 9.72376 17.7382 10.8013 5.89591 11.2785 6.81108 numMergedOcc 0
44 mol 260 unq 0 iso 0 dist 7.99521 5.52447 9.32954 11.362 6.75725 9.07649 5.38958 9.31888 9.46408 14.374 numMergedOcc 0
45 mol 260 unq 0 iso 1 dist 7.99521 5.52447 9.32954 5.38958 9.31888 9.46408 11.362 6.75725 9.07649 14.374 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 7.79704 5.57372 7.75216 14.6057 7.77765 13.9324 6.522 9.65868 10.7442 13.5848 numMergedOcc 0
47 mol 274 unq 0 iso 1 dist 7.79704 5.57372 7.75216 6.522 9.65868 10.7442 14.6057 7.77765 13.9324 13.5848 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 9.39276 12.4711 7.75216 15.1159 7.77765 13.9324 7.44746 9.65868 10.7442 13.5848 numMergedOcc 0
49 mol 274 unq 1 iso 1 dist 9.39276 12.4711 7.75216 7.44746 9.65868 10.7442 15.1159 7.77765 13.9324 13.5848 numMergedOcc 0
