0 mol 24 unq 0 iso 0 dist 9.41441 11.1124 6.2004 4.32034 8.00171 7.72688 9.88364 9.85784 7.19293 5.70626 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.41441 11.1124 6.2004 4.32034 8.00171 7.72688 9.78753 9.87996 5.56258 5.62738 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 9.41441 11.1124 6.2004 12.2662 5.95834 4.82556 9.88364 9.85784 7.19293 11.6859 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 9.41441 11.1124 6.2004 12.2662 5.95834 4.82556 9.78753 9.87996 5.56258 9.80106 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.41441 11.1124 6.2004 8.67951 4.2121 6.25108 9.88364 9.85784 7.19293 11.076 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 9.41441 11.1124 6.2004 8.67951 4.2121 6.25108 9.78753 9.87996 5.56258 9.68535 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 9.41441 11.1124 6.2004 8.52463 6.72323 11.8207 9.88364 9.85784 7.19293 14.6305 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 9.41441 11.1124 6.2004 8.52463 6.72323 11.8207 9.78753 9.87996 5.56258 14.3224 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 6.73939 10.2913 6.2004 6.56748 5.95834 4.82556 15.4313 9.85784 7.19293 11.6859 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 6.73939 10.2913 6.2004 6.56748 5.95834 4.82556 14.1829 9.87996 5.56258 9.80106 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 6.73939 10.2913 6.2004 4.50066 4.2121 6.25108 15.4313 9.85784 7.19293 11.076 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 6.73939 10.2913 6.2004 4.50066 4.2121 6.25108 14.1829 9.87996 5.56258 9.68535 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 6.73939 10.2913 6.2004 11.9112 8.00171 7.72688 15.4313 9.85784 7.19293 5.70626 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 6.73939 10.2913 6.2004 11.9112 8.00171 7.72688 14.1829 9.87996 5.56258 5.62738 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 6.73939 10.2913 6.2004 5.11617 6.72323 11.8207 15.4313 9.85784 7.19293 14.6305 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 6.73939 10.2913 6.2004 5.11617 6.72323 11.8207 14.1829 9.87996 5.56258 14.3224 numMergedOcc 0
16 mol 24 unq 16 iso 0 dist 8.4051 4.33963 4.90592 12.176 6.72323 10.0715 10.1698 6.61696 8.10397 4.08755 numMergedOcc 0
17 mol 24 unq 17 iso 0 dist 8.4051 4.33963 4.90592 12.176 6.72323 10.0715 13.6174 5.80953 9.57743 10.0453 numMergedOcc 0
18 mol 24 unq 18 iso 0 dist 8.4051 17.4067 9.36461 12.176 6.72323 11.9395 10.1698 6.61696 13.8334 4.08755 numMergedOcc 0
19 mol 24 unq 19 iso 0 dist 8.4051 17.4067 9.36461 12.176 6.72323 11.9395 13.6174 5.80953 4.47891 10.0453 numMergedOcc 0
20 mol 24 unq 20 iso 0 dist 7.29868 12.0003 4.90592 6.66749 6.72323 10.0715 8.91183 6.61696 8.10397 4.08755 numMergedOcc 0
21 mol 24 unq 21 iso 0 dist 7.29868 12.0003 4.90592 6.66749 6.72323 10.0715 5.69214 5.80953 9.57743 10.0453 numMergedOcc 0
22 mol 24 unq 22 iso 0 dist 7.29868 6.00575 9.36461 6.66749 6.72323 11.9395 8.91183 6.61696 13.8334 4.08755 numMergedOcc 0
23 mol 24 unq 23 iso 0 dist 7.29868 6.00575 9.36461 6.66749 6.72323 11.9395 5.69214 5.80953 4.47891 10.0453 numMergedOcc 0
24 mol 24 unq 24 iso 0 dist 8.60554 11.2106 4.90592 14.012 6.72323 10.0715 14.8647 6.61696 8.10397 4.08755 numMergedOcc 0
25 mol 24 unq 25 iso 0 dist 8.60554 11.2106 4.90592 14.012 6.72323 10.0715 5.11636 5.80953 9.57743 10.0453 numMergedOcc 0
26 mol 24 unq 26 iso 0 dist 8.60554 5.97304 9.36461 14.012 6.72323 11.9395 14.8647 6.61696 13.8334 4.08755 numMergedOcc 0
27 mol 24 unq 27 iso 0 dist 8.60554 5.97304 9.36461 14.012 6.72323 11.9395 5.11636 5.80953 4.47891 10.0453 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 9.24757 8.26458 6.48232 6.29906 8.87464 7.86177 6.20232 8.96616 10.9746 5.29727 numMergedOcc 0
29 mol 73 unq 1 iso 0 dist 9.24757 8.26458 6.48232 6.29906 8.87464 7.86177 5.70116 6.14542 7.8972 3.85385 numMergedOcc 0
30 mol 85 unq 0 iso 0 dist 9.82915 6.37974 8.70863 10.4987 9.66222 8.31077 11.9064 5.05893 12.7386 11.0952 numMergedOcc 0
31 mol 85 unq 1 iso 0 dist 9.82915 6.37974 8.70863 10.4987 9.66222 8.31077 14.7521 5.71866 14.1999 12.5181 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 7.52354 7.23437 8.29345 14.3301 9.91054 9.01596 6.95017 8.93769 8.08435 11.9597 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 7.69991 13.1292 9.30061 7.41674 6.40575 14.2253 12.847 9.0176 4.935 15.0575 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 6.23142 9.4027 9.30061 9.87376 6.40575 14.2253 8.06642 9.0176 4.935 15.0575 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 9.94764 5.12325 9.30061 14.9876 6.40575 14.2253 4.00092 9.0176 4.935 15.0575 numMergedOcc 0
36 mol 141 unq 0 iso 0 dist 8.10291 11.2667 9.78667 14.7684 9.83945 8.69924 4.32342 7.42144 12.6553 16.2294 numMergedOcc 0
37 mol 141 unq 1 iso 0 dist 8.10291 11.2667 9.78667 14.7684 9.83945 8.69924 7.17845 6.27658 13.5035 15.9806 numMergedOcc 0
38 mol 141 unq 2 iso 0 dist 8.10291 7.52924 8.47026 14.7684 9.83945 9.33878 4.32342 7.42144 10.1588 16.2294 numMergedOcc 0
39 mol 141 unq 3 iso 0 dist 8.10291 7.52924 8.47026 14.7684 9.83945 9.33878 7.17845 6.27658 11.7454 15.9806 numMergedOcc 0
40 mol 141 unq 4 iso 0 dist 9.97343 13.8236 7.64956 9.74444 9.10042 8.69924 13.4066 6.65731 8.48213 14.0725 numMergedOcc 0
41 mol 141 unq 5 iso 0 dist 9.97343 13.8236 7.64956 6.91919 9.75059 9.41497 13.4066 6.65731 8.48213 13.1981 numMergedOcc 0
42 mol 141 unq 6 iso 0 dist 9.97343 13.8236 7.64956 10.1432 6.83404 9.53115 13.4066 6.65731 8.48213 3.98068 numMergedOcc 0
43 mol 141 unq 7 iso 0 dist 9.70413 6.30121 7.64956 10.3716 9.10042 8.69924 8.54432 6.65731 8.48213 14.0725 numMergedOcc 0
44 mol 141 unq 8 iso 0 dist 9.70413 6.30121 7.64956 7.87881 9.75059 9.41497 8.54432 6.65731 8.48213 13.1981 numMergedOcc 0
45 mol 141 unq 9 iso 0 dist 9.70413 6.30121 7.64956 7.27731 6.83404 9.53115 8.54432 6.65731 8.48213 3.98068 numMergedOcc 0
46 mol 171 unq 0 iso 0 dist 9.61462 5.487 8.1536 11.5561 5.25109 9.18337 7.5383 7.47964 6.1593 11.4851 numMergedOcc 0
47 mol 171 unq 1 iso 0 dist 9.61462 5.487 8.1536 10.844 8.21618 8.83874 7.5383 7.47964 6.1593 12.9811 numMergedOcc 0
48 mol 171 unq 2 iso 0 dist 6.64834 6.83134 7.32555 6.45673 7.22518 9.8515 8.99935 9.34834 5.70722 14.0016 numMergedOcc 0
49 mol 171 unq 3 iso 0 dist 6.64834 6.83134 7.32555 6.45673 7.22518 9.8515 7.15048 5.74846 8.34756 11.4302 numMergedOcc 0
50 mol 171 unq 4 iso 0 dist 6.64834 6.83134 7.32555 4.78075 5.25109 9.54524 8.99935 9.34834 5.70722 10.0655 numMergedOcc 0
51 mol 171 unq 5 iso 0 dist 6.64834 6.83134 7.32555 4.78075 5.25109 9.54524 7.15048 5.74846 8.34756 4.88147 numMergedOcc 0
52 mol 171 unq 6 iso 0 dist 5.93786 4.44751 7.32555 5.48551 7.22518 9.8515 9.35703 9.34834 5.70722 14.0016 numMergedOcc 0
53 mol 171 unq 7 iso 0 dist 5.93786 4.44751 7.32555 5.48551 7.22518 9.8515 9.14311 5.74846 8.34756 11.4302 numMergedOcc 0
54 mol 171 unq 8 iso 0 dist 5.93786 4.44751 7.32555 7.9651 5.25109 9.54524 9.35703 9.34834 5.70722 10.0655 numMergedOcc 0
55 mol 171 unq 9 iso 0 dist 5.93786 4.44751 7.32555 7.9651 5.25109 9.54524 9.14311 5.74846 8.34756 4.88147 numMergedOcc 0
56 mol 171 unq 10 iso 0 dist 8.24693 9.61561 7.32555 8.05069 7.22518 9.8515 14.4375 9.34834 5.70722 14.0016 numMergedOcc 0
57 mol 171 unq 11 iso 0 dist 8.24693 9.61561 7.32555 8.05069 7.22518 9.8515 13.6262 5.74846 8.34756 11.4302 numMergedOcc 0
58 mol 171 unq 12 iso 0 dist 8.24693 9.61561 7.32555 12.6853 5.25109 9.54524 14.4375 9.34834 5.70722 10.0655 numMergedOcc 0
59 mol 171 unq 13 iso 0 dist 8.24693 9.61561 7.32555 12.6853 5.25109 9.54524 13.6262 5.74846 8.34756 4.88147 numMergedOcc 0
60 mol 171 unq 14 iso 0 dist 7.36698 6.66219 7.32555 11.2785 7.22518 9.8515 4.66982 9.34834 5.70722 14.0016 numMergedOcc 0
61 mol 171 unq 15 iso 0 dist 7.36698 6.66219 7.32555 11.2785 7.22518 9.8515 3.65288 5.74846 8.34756 11.4302 numMergedOcc 0
62 mol 171 unq 16 iso 0 dist 7.36698 6.66219 7.32555 5.90026 5.25109 9.54524 4.66982 9.34834 5.70722 10.0655 numMergedOcc 0
63 mol 171 unq 17 iso 0 dist 7.36698 6.66219 7.32555 5.90026 5.25109 9.54524 3.65288 5.74846 8.34756 4.88147 numMergedOcc 0
64 mol 194 unq 0 iso 0 dist 8.65535 6.66155 6.37788 11.6598 6.1886 8.43261 10.0756 4.19371 5.28603 4.002 numMergedOcc 0
65 mol 194 unq 1 iso 0 dist 8.65535 6.66155 6.37788 11.6598 6.1886 8.43261 16.4082 9.71015 10.7058 7.09553 numMergedOcc 0
66 mol 194 unq 2 iso 0 dist 8.65535 5.4499 8.7028 11.6598 6.1886 13.8424 10.0756 4.19371 11.0713 4.002 numMergedOcc 0
67 mol 194 unq 3 iso 0 dist 8.65535 5.4499 8.7028 11.6598 6.1886 13.8424 16.4082 9.71015 16.9177 7.09553 numMergedOcc 0
68 mol 232 unq 0 iso 0 dist 8.50102 5.8023 6.57921 6.2188 9.78181 7.86594 9.74344 9.9183 8.03712 14.876 numMergedOcc 0
69 mol 232 unq 1 iso 0 dist 8.50102 5.8023 6.57921 12.3508 9.8664 13.8622 9.74344 9.9183 8.03712 11.2243 numMergedOcc 0
70 mol 232 unq 2 iso 0 dist 9.40808 8.25884 6.57921 12.5452 9.78181 7.86594 5.10213 9.9183 8.03712 14.876 numMergedOcc 0
71 mol 232 unq 3 iso 0 dist 9.40808 8.25884 6.57921 8.80479 9.8664 13.8622 5.10213 9.9183 8.03712 11.2243 numMergedOcc 0
72 mol 232 unq 4 iso 0 dist 9.05071 14.8035 8.28466 4.9377 9.8664 12.721 5.42461 6.59036 10.0046 4.68548 numMergedOcc 0
73 mol 274 unq 0 iso 0 dist 7.46394 13.7877 7.79704 11.1602 7.75216 5.57372 5.22914 7.77765 14.6057 13.9324 numMergedOcc 0
74 mol 274 unq 1 iso 0 dist 7.46394 13.7877 7.79704 11.1602 7.75216 5.57372 14.7507 9.65868 6.522 10.7442 numMergedOcc 0
75 mol 274 unq 2 iso 0 dist 7.46394 16.6011 9.39276 11.1602 7.75216 12.4711 5.22914 7.77765 15.1159 13.9324 numMergedOcc 0
76 mol 274 unq 3 iso 0 dist 7.46394 16.6011 9.39276 11.1602 7.75216 12.4711 14.7507 9.65868 7.44746 10.7442 numMergedOcc 0
77 mol 274 unq 4 iso 0 dist 9.45514 8.09454 7.79704 6.52035 7.75216 5.57372 12.393 7.77765 14.6057 13.9324 numMergedOcc 0
78 mol 274 unq 5 iso 0 dist 9.45514 8.09454 7.79704 6.52035 7.75216 5.57372 8.87855 9.65868 6.522 10.7442 numMergedOcc 0
79 mol 274 unq 6 iso 0 dist 9.45514 14.1363 9.39276 6.52035 7.75216 12.4711 12.393 7.77765 15.1159 13.9324 numMergedOcc 0
80 mol 274 unq 7 iso 0 dist 9.45514 14.1363 9.39276 6.52035 7.75216 12.4711 8.87855 9.65868 7.44746 10.7442 numMergedOcc 0
81 mol 274 unq 8 iso 0 dist 8.91672 6.23174 7.79704 5.58338 7.75216 5.57372 16.5034 7.77765 14.6057 13.9324 numMergedOcc 0
82 mol 274 unq 9 iso 0 dist 8.91672 6.23174 7.79704 5.58338 7.75216 5.57372 12.5615 9.65868 6.522 10.7442 numMergedOcc 0
83 mol 274 unq 10 iso 0 dist 8.91672 10.9037 9.39276 5.58338 7.75216 12.4711 16.5034 7.77765 15.1159 13.9324 numMergedOcc 0
84 mol 274 unq 11 iso 0 dist 8.91672 10.9037 9.39276 5.58338 7.75216 12.4711 12.5615 9.65868 7.44746 10.7442 numMergedOcc 0
85 mol 274 unq 12 iso 0 dist 7.1729 10.0424 7.79704 5.71192 7.75216 5.57372 10.2884 7.77765 14.6057 13.9324 numMergedOcc 0
86 mol 274 unq 13 iso 0 dist 7.1729 10.0424 7.79704 5.71192 7.75216 5.57372 13.0867 9.65868 6.522 10.7442 numMergedOcc 0
87 mol 274 unq 14 iso 0 dist 7.1729 15.375 9.39276 5.71192 7.75216 12.4711 10.2884 7.77765 15.1159 13.9324 numMergedOcc 0
88 mol 274 unq 15 iso 0 dist 7.1729 15.375 9.39276 5.71192 7.75216 12.4711 13.0867 9.65868 7.44746 10.7442 numMergedOcc 0
89 mol 274 unq 16 iso 0 dist 8.52587 5.90436 8.2997 6.20558 6.88827 5.36428 16.9539 8.60027 14.9951 13.3632 numMergedOcc 0
90 mol 274 unq 17 iso 0 dist 8.52587 5.90436 8.2997 16.3619 9.16942 14.986 16.9539 8.60027 14.9951 5.39432 numMergedOcc 0
91 mol 274 unq 18 iso 0 dist 6.39866 10.4342 8.2997 6.16703 6.88827 5.36428 8.87855 8.60027 14.9951 13.3632 numMergedOcc 0
92 mol 274 unq 19 iso 0 dist 6.39866 10.4342 8.2997 5.64601 9.16942 14.986 8.87855 8.60027 14.9951 5.39432 numMergedOcc 0
