0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 12.1855 9.87885 12.8323 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22805 6.96396 7.10621 12.2255 9.67164 13.156 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 7.28164 8.55451 8.69454 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 9.47321 5.91584 8.57077 6.24734 5.8245 5.84314 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.23212 7.86896 4.61088 11.3059 6.54358 4.10106 numMergedOcc 0
5 mol 16 unq 0 iso 0 dist 9.04834 6.05535 4.7319 5.37568 7.65889 6.86055 numMergedOcc 0
6 mol 16 unq 1 iso 0 dist 8.17898 5.72175 5.05803 5.37568 6.42835 5.01101 numMergedOcc 0
7 mol 16 unq 2 iso 0 dist 8.17898 5.72175 5.05803 9.62324 6.57331 4.65873 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 5.06352 6.6219 4.82629 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 7.63533 5.68215 10.1698 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 5.87895 5.75653 7.36323 6.87351 8.87744 6.28159 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 5.87895 5.75653 7.36323 7.79018 7.27472 5.50396 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 11.7739 7.52933 5.03027 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 13.0315 6.55597 4.69295 numMergedOcc 0
14 mol 25 unq 2 iso 0 dist 8.23292 12.4427 5.04899 9.6847 9.71956 12.2542 numMergedOcc 0
15 mol 25 unq 3 iso 0 dist 8.23292 12.4427 5.04899 9.50063 7.07751 8.79309 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 8.23292 12.4427 5.04899 9.6251 8.23761 8.17061 numMergedOcc 0
17 mol 25 unq 5 iso 0 dist 8.23292 12.4427 5.04899 10.985 9.49421 13.6145 numMergedOcc 0
18 mol 59 unq 0 iso 0 dist 6.46655 8.94845 7.17396 9.85425 6.56212 7.31539 numMergedOcc 0
19 mol 59 unq 1 iso 0 dist 6.46655 6.32263 9.21998 9.85425 6.56212 11.1607 numMergedOcc 0
20 mol 64 unq 0 iso 0 dist 9.10915 9.73304 9.67592 6.24019 9.86334 5.16015 numMergedOcc 0
21 mol 64 unq 1 iso 0 dist 8.66921 10.8918 9.67592 7.01498 9.86334 5.16015 numMergedOcc 0
22 mol 64 unq 2 iso 0 dist 5.54343 5.59762 9.67592 5.18166 9.86334 5.16015 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.7557 8.68662 6.20232 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 11.1632 7.4369 5.70116 numMergedOcc 0
25 mol 73 unq 2 iso 0 dist 5.79954 14.1415 9.38498 11.5216 9.73086 17.4121 numMergedOcc 0
26 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 11.5216 9.73086 5.70116 numMergedOcc 0
27 mol 73 unq 4 iso 0 dist 5.79954 9.65653 9.75218 11.5216 9.73086 14.844 numMergedOcc 0
28 mol 73 unq 5 iso 0 dist 7.01889 7.9573 9.38498 16.3376 9.73086 17.4121 numMergedOcc 0
29 mol 73 unq 6 iso 0 dist 7.01889 15.0744 9.96396 16.3376 9.73086 5.70116 numMergedOcc 0
30 mol 73 unq 7 iso 0 dist 7.01889 8.11922 9.75218 16.3376 9.73086 14.844 numMergedOcc 0
31 mol 76 unq 0 iso 0 dist 4.83274 10.2219 6.97941 8.55291 9.6952 8.66662 numMergedOcc 0
32 mol 76 unq 1 iso 0 dist 7.89214 7.74851 6.97941 13.2696 9.6952 8.66662 numMergedOcc 0
33 mol 95 unq 0 iso 0 dist 9.40559 13.018 7.27724 12.698 9.3948 3.94537 numMergedOcc 0
34 mol 95 unq 1 iso 0 dist 9.40559 13.018 7.27724 12.5563 9.74607 6.12605 numMergedOcc 0
35 mol 95 unq 2 iso 0 dist 9.40559 11.8978 8.03644 12.698 9.3948 11.3215 numMergedOcc 0
36 mol 95 unq 3 iso 0 dist 9.40559 11.8978 8.03644 12.5563 9.74607 5.06946 numMergedOcc 0
37 mol 95 unq 4 iso 0 dist 8.26838 4.33346 9.03572 8.32734 8.27883 4.99174 numMergedOcc 0
38 mol 95 unq 5 iso 0 dist 8.26838 4.33346 9.03572 4.79063 5.75428 4.46005 numMergedOcc 0
39 mol 95 unq 6 iso 0 dist 8.26838 4.33346 9.03572 4.05985 8.57395 8.28518 numMergedOcc 0
40 mol 95 unq 7 iso 0 dist 8.26838 4.33346 9.03572 12.6917 9.85409 15.917 numMergedOcc 0
41 mol 95 unq 8 iso 0 dist 8.26838 7.47119 8.83255 8.32734 8.27883 8.67311 numMergedOcc 0
42 mol 95 unq 9 iso 0 dist 8.26838 7.47119 8.83255 4.79063 5.75428 3.94293 numMergedOcc 0
43 mol 95 unq 10 iso 0 dist 8.26838 7.47119 8.83255 4.05985 8.57395 9.22202 numMergedOcc 0
44 mol 95 unq 11 iso 0 dist 8.26838 7.47119 8.83255 12.6917 9.85409 13.7484 numMergedOcc 0
45 mol 95 unq 12 iso 0 dist 8.26838 15.4217 8.03644 8.32734 8.27883 15.6249 numMergedOcc 0
46 mol 95 unq 13 iso 0 dist 8.26838 15.4217 8.03644 4.79063 5.75428 12.4896 numMergedOcc 0
47 mol 95 unq 14 iso 0 dist 8.26838 15.4217 8.03644 4.05985 8.57395 14.2178 numMergedOcc 0
48 mol 95 unq 15 iso 0 dist 8.26838 15.4217 8.03644 12.6917 9.85409 8.78079 numMergedOcc 0
49 mol 109 unq 0 iso 0 dist 8.46734 6.43998 7.34473 4.57343 6.29161 6.73011 numMergedOcc 0
50 mol 109 unq 1 iso 0 dist 8.46734 6.43998 7.34473 11.3914 7.86666 13.0886 numMergedOcc 0
51 mol 112 unq 0 iso 0 dist 9.43616 10.746 7.71338 6.13615 8.47988 6.95317 numMergedOcc 0
52 mol 112 unq 1 iso 0 dist 9.43616 10.746 7.71338 4.49971 8.0427 7.57713 numMergedOcc 0
53 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 6.3642 6.04595 5.03039 numMergedOcc 0
54 mol 127 unq 0 iso 0 dist 7.73139 11.0785 9.30299 4.66329 6.08673 12.8087 numMergedOcc 0
55 mol 127 unq 1 iso 0 dist 6.66607 8.89539 9.30299 7.30158 6.08673 12.8087 numMergedOcc 0
56 mol 127 unq 2 iso 0 dist 8.62711 10.345 9.30299 9.74982 6.08673 12.8087 numMergedOcc 0
57 mol 132 unq 0 iso 0 dist 6.2403 6.04014 7.7059 11.6543 6.89918 12.9631 numMergedOcc 0
58 mol 132 unq 1 iso 0 dist 6.495 10.0823 7.7059 7.05332 6.89918 12.9631 numMergedOcc 0
59 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 5.94578 8.26547 5.03174 numMergedOcc 0
60 mol 133 unq 1 iso 0 dist 7.15203 9.71227 8.22656 5.94578 8.26547 4.88025 numMergedOcc 0
61 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 7.77359 9.33924 6.95573 numMergedOcc 0
62 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 10.8891 7.93372 8.06642 numMergedOcc 0
63 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 7.77359 9.33924 10.2026 numMergedOcc 0
64 mol 134 unq 3 iso 0 dist 5.67862 12.4156 9.71307 10.8891 7.93372 4.00092 numMergedOcc 0
65 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 5.88056 5.37047 4.78563 numMergedOcc 0
66 mol 143 unq 1 iso 0 dist 7.5984 5.11989 5.99315 14.6282 7.36975 13.1926 numMergedOcc 0
67 mol 143 unq 2 iso 0 dist 7.5984 5.11989 5.99315 7.11802 5.40637 7.39837 numMergedOcc 0
68 mol 182 unq 0 iso 0 dist 9.36307 9.72559 9.31746 5.62883 9.56028 8.82964 numMergedOcc 0
69 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 5.85073 6.61112 11.0961 numMergedOcc 0
70 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 5.99091 7.9133 10.7169 numMergedOcc 0
71 mol 204 unq 1 iso 0 dist 7.7292 9.54287 8.51516 5.99091 7.9133 5.57347 numMergedOcc 0
72 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 7.66602 7.46481 11.4955 numMergedOcc 0
73 mol 214 unq 1 iso 0 dist 9.40003 9.11345 7.14453 7.66602 7.46481 8.459 numMergedOcc 0
74 mol 214 unq 2 iso 0 dist 9.40003 16.922 8.85478 7.66602 7.46481 11.1534 numMergedOcc 0
75 mol 214 unq 3 iso 0 dist 8.68385 10.2443 9.65138 15.5553 7.46481 11.4955 numMergedOcc 0
76 mol 214 unq 4 iso 0 dist 8.68385 12.5421 7.14453 15.5553 7.46481 8.459 numMergedOcc 0
77 mol 214 unq 5 iso 0 dist 8.68385 9.18071 8.85478 15.5553 7.46481 11.1534 numMergedOcc 0
78 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 12.9462 6.74196 8.84507 numMergedOcc 0
79 mol 222 unq 1 iso 0 dist 7.27481 5.68063 6.00706 9.50604 8.36842 6.02502 numMergedOcc 0
80 mol 222 unq 2 iso 0 dist 7.27481 5.68063 6.00706 9.68195 9.75472 5.18677 numMergedOcc 0
81 mol 222 unq 3 iso 0 dist 7.27481 5.90074 7.54212 12.9462 6.74196 12.8595 numMergedOcc 0
82 mol 222 unq 4 iso 0 dist 7.27481 5.90074 7.54212 9.50604 8.36842 12.5866 numMergedOcc 0
83 mol 222 unq 5 iso 0 dist 7.27481 5.90074 7.54212 9.68195 9.75472 11.9567 numMergedOcc 0
84 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 8.1388 6.42257 4.04036 numMergedOcc 0
85 mol 223 unq 1 iso 0 dist 9.94212 11.4946 8.77153 14.288 9.33543 13.1538 numMergedOcc 0
86 mol 223 unq 2 iso 0 dist 9.94212 13.1422 8.6166 8.1388 6.42257 9.47076 numMergedOcc 0
87 mol 223 unq 3 iso 0 dist 9.94212 13.1422 8.6166 14.288 9.33543 5.39728 numMergedOcc 0
88 mol 224 unq 0 iso 0 dist 7.25658 5.38198 6.65832 4.69994 6.99769 5.76843 numMergedOcc 0
89 mol 229 unq 0 iso 0 dist 8.0007 5.29674 9.87838 6.80826 6.95201 4.61227 numMergedOcc 0
90 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 6.2559 6.71524 5.10213 numMergedOcc 0
91 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 5.3331 9.3206 4.27181 numMergedOcc 0
92 mol 236 unq 1 iso 0 dist 6.36941 4.88785 7.68742 5.3331 9.3206 4.89609 numMergedOcc 0
93 mol 236 unq 2 iso 0 dist 6.36941 10.2557 6.27581 5.3331 9.3206 10.5774 numMergedOcc 0
94 mol 239 unq 0 iso 0 dist 9.27989 12.1502 6.16342 3.28983 6.73665 10.6736 numMergedOcc 0
95 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 9.33595 9.05018 4.58289 numMergedOcc 0
96 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 8.41608 9.46361 12.2293 numMergedOcc 0
97 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 8.41608 9.46361 11.6988 numMergedOcc 0
98 mol 276 unq 0 iso 0 dist 5.30976 7.38126 9.8993 3.87012 8.6759 9.39944 numMergedOcc 0
99 mol 276 unq 1 iso 0 dist 5.30976 6.39319 6.87396 3.87012 8.6759 8.26321 numMergedOcc 0
100 mol 280 unq 0 iso 0 dist 9.26066 12.5899 6.53701 8.13853 6.02353 4.90315 numMergedOcc 0
