0 mol 10 unq 0 iso 0 dist 5.40169 9.61828 5.59965 11.4402 9.43029 4.99208 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.00369 7.99067 5.59965 9.69704 6.18431 3.92592 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 8.00369 7.99067 5.59965 5.4745 9.07726 5.53712 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.2004 7.72688 8.00171 7.19293 9.85784 5.70626 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.2004 7.72688 8.00171 5.56258 9.87996 5.62738 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.2004 4.82556 5.95834 7.19293 9.85784 11.6859 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.2004 4.82556 5.95834 5.56258 9.87996 9.80106 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 6.2004 6.25108 4.2121 7.19293 9.85784 11.076 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 6.2004 6.25108 4.2121 5.56258 9.87996 9.68535 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 6.2004 11.8207 6.72323 7.19293 9.85784 14.6305 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 6.2004 11.8207 6.72323 5.56258 9.87996 14.3224 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 4.90592 10.0715 6.72323 8.10397 6.61696 4.08755 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 4.90592 10.0715 6.72323 9.57743 5.80953 10.0453 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 9.36461 11.9395 6.72323 13.8334 6.61696 4.08755 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 9.36461 11.9395 6.72323 4.47891 5.80953 10.0453 numMergedOcc 0
15 mol 26 unq 0 iso 0 dist 9.5053 5.66783 6.56527 13.4114 6.7142 10.0347 numMergedOcc 0
16 mol 26 unq 1 iso 0 dist 6.74848 5.45023 6.56527 9.45442 6.81793 4.76998 numMergedOcc 0
17 mol 30 unq 0 iso 0 dist 6.55815 5.60789 7.14464 4.60505 6.00377 5.0755 numMergedOcc 0
18 mol 30 unq 1 iso 0 dist 6.55815 5.60789 7.14464 6.70839 9.35623 5.39349 numMergedOcc 0
19 mol 30 unq 2 iso 0 dist 6.55815 5.60789 7.14464 8.85891 9.4577 4.02746 numMergedOcc 0
20 mol 60 unq 0 iso 0 dist 4.65127 4.82351 8.97364 5.71764 6.63448 5.85676 numMergedOcc 0
21 mol 68 unq 0 iso 0 dist 8.91427 7.53895 6.74766 8.69385 7.98985 12.5617 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 6.48232 7.86177 8.87464 10.9746 8.96616 5.29727 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 6.48232 7.86177 8.87464 7.8972 6.14542 3.85385 numMergedOcc 0
24 mol 76 unq 0 iso 0 dist 9.75201 7.2505 8.95905 6.48293 7.46095 6.6642 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 8.70863 8.31077 9.66222 12.7386 5.05893 11.0952 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 8.70863 8.31077 9.66222 14.1999 5.71866 12.5181 numMergedOcc 0
27 mol 92 unq 0 iso 0 dist 8.29345 9.01596 9.91054 8.08435 8.93769 11.9597 numMergedOcc 0
28 mol 112 unq 0 iso 0 dist 9.77017 7.22444 7.80873 8.59786 8.72725 8.72143 numMergedOcc 0
29 mol 112 unq 1 iso 0 dist 9.77017 7.22444 7.80873 9.00531 6.11407 5.08111 numMergedOcc 0
30 mol 131 unq 0 iso 0 dist 5.39061 5.67023 5.87084 4.24991 7.75314 6.11089 numMergedOcc 0
31 mol 134 unq 0 iso 0 dist 9.30061 14.2253 6.40575 4.935 9.0176 15.0575 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 9.78667 8.69924 9.83945 12.6553 7.42144 16.2294 numMergedOcc 0
33 mol 141 unq 1 iso 0 dist 9.78667 8.69924 9.83945 13.5035 6.27658 15.9806 numMergedOcc 0
34 mol 141 unq 2 iso 0 dist 8.47026 9.33878 9.83945 10.1588 7.42144 16.2294 numMergedOcc 0
35 mol 141 unq 3 iso 0 dist 8.47026 9.33878 9.83945 11.7454 6.27658 15.9806 numMergedOcc 0
36 mol 141 unq 4 iso 0 dist 6.73983 8.69924 6.75376 14.228 9.27009 6.93828 numMergedOcc 0
37 mol 141 unq 5 iso 0 dist 8.6387 9.33878 6.75376 14.0232 9.27009 6.93828 numMergedOcc 0
38 mol 141 unq 6 iso 0 dist 7.64956 8.69924 9.10042 8.48213 6.65731 14.0725 numMergedOcc 0
39 mol 141 unq 7 iso 0 dist 7.64956 9.41497 9.75059 8.48213 6.65731 13.1981 numMergedOcc 0
40 mol 141 unq 8 iso 0 dist 7.64956 9.53115 6.83404 8.48213 6.65731 3.98068 numMergedOcc 0
41 mol 141 unq 9 iso 0 dist 4.46777 5.38571 6.83404 5.25982 5.92302 10.0208 numMergedOcc 0
42 mol 171 unq 0 iso 0 dist 7.32555 9.8515 7.22518 5.70722 9.34834 14.0016 numMergedOcc 0
43 mol 171 unq 1 iso 0 dist 7.32555 9.8515 7.22518 8.34756 5.74846 11.4302 numMergedOcc 0
44 mol 171 unq 2 iso 0 dist 7.32555 9.54524 5.25109 5.70722 9.34834 10.0655 numMergedOcc 0
45 mol 171 unq 3 iso 0 dist 7.32555 9.54524 5.25109 8.34756 5.74846 4.88147 numMergedOcc 0
46 mol 171 unq 4 iso 0 dist 8.1536 9.18337 5.25109 6.1593 7.47964 11.4851 numMergedOcc 0
47 mol 171 unq 5 iso 0 dist 8.1536 8.83874 8.21618 6.1593 7.47964 12.9811 numMergedOcc 0
48 mol 194 unq 0 iso 0 dist 6.37788 8.43261 6.1886 5.28603 4.19371 4.002 numMergedOcc 0
49 mol 194 unq 1 iso 0 dist 6.37788 8.43261 6.1886 10.7058 9.71015 7.09553 numMergedOcc 0
50 mol 194 unq 2 iso 0 dist 8.7028 13.8424 6.1886 11.0713 4.19371 4.002 numMergedOcc 0
51 mol 194 unq 3 iso 0 dist 8.7028 13.8424 6.1886 16.9177 9.71015 7.09553 numMergedOcc 0
52 mol 196 unq 0 iso 0 dist 9.76411 6.02503 9.62455 6.66311 8.48879 5.40367 numMergedOcc 0
53 mol 196 unq 1 iso 0 dist 9.76411 6.02503 9.62455 10.8013 5.89591 11.2785 numMergedOcc 0
54 mol 196 unq 2 iso 0 dist 9.76411 6.02503 9.62455 17.0364 9.72376 17.7382 numMergedOcc 0
55 mol 225 unq 0 iso 0 dist 9.23935 8.98957 8.37739 6.05548 9.82043 5.8463 numMergedOcc 0
56 mol 225 unq 1 iso 0 dist 7.77552 8.98957 9.47237 6.05548 8.22922 5.8463 numMergedOcc 0
57 mol 232 unq 0 iso 0 dist 6.57921 7.86594 9.78181 8.03712 9.9183 14.876 numMergedOcc 0
58 mol 232 unq 1 iso 0 dist 6.57921 13.8622 9.8664 8.03712 9.9183 11.2243 numMergedOcc 0
59 mol 232 unq 2 iso 0 dist 8.28466 12.721 9.8664 10.0046 6.59036 4.68548 numMergedOcc 0
60 mol 256 unq 0 iso 0 dist 8.89892 4.55079 6.33496 7.20313 6.85663 8.60707 numMergedOcc 0
61 mol 256 unq 1 iso 0 dist 8.89892 7.29918 6.00636 7.20313 6.85663 9.39697 numMergedOcc 0
62 mol 256 unq 2 iso 0 dist 8.89892 8.66399 7.81448 7.20313 6.85663 4.05082 numMergedOcc 0
63 mol 256 unq 3 iso 0 dist 8.89892 6.4708 8.54499 7.20313 6.85663 6.63324 numMergedOcc 0
64 mol 260 unq 0 iso 0 dist 7.99521 5.52447 9.32954 11.362 6.75725 9.07649 numMergedOcc 0
65 mol 260 unq 1 iso 0 dist 7.99521 5.52447 9.32954 5.38958 9.31888 9.46408 numMergedOcc 0
66 mol 274 unq 0 iso 0 dist 7.79704 5.57372 7.75216 14.6057 7.77765 13.9324 numMergedOcc 0
67 mol 274 unq 1 iso 0 dist 7.79704 5.57372 7.75216 6.522 9.65868 10.7442 numMergedOcc 0
68 mol 274 unq 2 iso 0 dist 9.39276 12.4711 7.75216 15.1159 7.77765 13.9324 numMergedOcc 0
69 mol 274 unq 3 iso 0 dist 9.39276 12.4711 7.75216 7.44746 9.65868 10.7442 numMergedOcc 0
70 mol 274 unq 4 iso 0 dist 8.2997 5.36428 6.88827 14.9951 8.60027 13.3632 numMergedOcc 0
71 mol 274 unq 5 iso 0 dist 8.2997 14.986 9.16942 14.9951 8.60027 5.39432 numMergedOcc 0
72 mol 277 unq 0 iso 0 dist 7.85414 5.43373 8.20644 14.6871 9.26157 16.0346 numMergedOcc 0
