0 mol 0 unq 0 iso 0 dist 7.96742 6.8892 9.53992 5.55156 11.962 5.85361 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.19397 6.8892 11.5675 5.55156 6.83587 5.85361 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 4.88114 6.12485 9.84838 6.66589 7.86036 6.56189 numMergedOcc 0
3 mol 4 unq 1 iso 0 dist 4.88114 9.04027 7.03689 6.66589 7.86036 6.22773 numMergedOcc 0
4 mol 5 unq 0 iso 0 dist 7.15734 8.88048 13.8842 6.77563 5.32128 9.72215 numMergedOcc 0
5 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 6.22892 6.3027 5.0893 numMergedOcc 0
6 mol 7 unq 1 iso 0 dist 8.14952 9.02869 8.4061 5.83658 4.92824 5.37308 numMergedOcc 0
7 mol 8 unq 0 iso 0 dist 9.00925 8.68949 16.2669 8.89145 5.7343 13.2274 numMergedOcc 0
8 mol 8 unq 1 iso 0 dist 9.00925 8.68949 16.2669 6.92865 11.3728 8.33226 numMergedOcc 0
9 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 8.17618 7.58748 6.67154 numMergedOcc 0
10 mol 12 unq 1 iso 0 dist 8.98466 6.6051 10.763 8.17618 6.89226 6.67154 numMergedOcc 0
11 mol 17 unq 0 iso 0 dist 9.26685 9.5937 5.4483 6.53817 11.7814 10.1064 numMergedOcc 0
12 mol 17 unq 1 iso 0 dist 9.26685 9.5937 5.4483 9.81769 14.8418 11.3627 numMergedOcc 0
13 mol 17 unq 2 iso 0 dist 9.26685 7.34681 9.4204 6.53817 11.7814 13.5023 numMergedOcc 0
14 mol 17 unq 3 iso 0 dist 9.26685 7.34681 9.4204 9.81769 14.8418 15.703 numMergedOcc 0
15 mol 19 unq 0 iso 0 dist 9.3147 8.75001 10.2713 7.78708 9.38012 5.18509 numMergedOcc 0
16 mol 19 unq 1 iso 0 dist 9.3147 8.75001 10.2713 7.84393 10.5285 12.48 numMergedOcc 0
17 mol 19 unq 2 iso 0 dist 9.79426 8.75001 12.053 7.78708 9.55318 5.18509 numMergedOcc 0
18 mol 19 unq 3 iso 0 dist 9.79426 8.75001 12.053 7.84393 9.84922 12.48 numMergedOcc 0
19 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 8.37503 6.40527 11.4088 numMergedOcc 0
20 mol 33 unq 0 iso 0 dist 8.43688 8.37901 3.80563 5.66319 9.42379 7.83082 numMergedOcc 0
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22 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 5.36645 8.03277 12.299 numMergedOcc 0
23 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 5.36645 9.26483 12.299 numMergedOcc 0
24 mol 64 unq 0 iso 0 dist 9.3473 8.86433 12.8692 9.10915 9.82646 14.8927 numMergedOcc 0
25 mol 64 unq 1 iso 0 dist 9.3473 8.86433 12.8692 7.02352 9.96083 6.15294 numMergedOcc 0
26 mol 64 unq 2 iso 0 dist 6.08228 5.66803 5.88036 5.54343 5.33496 5.9853 numMergedOcc 0
27 mol 64 unq 3 iso 0 dist 9.86958 8.85416 5.88036 9.99634 10.8691 6.43864 numMergedOcc 0
28 mol 69 unq 0 iso 0 dist 8.36667 8.70964 11.5923 8.24121 14.9981 6.57301 numMergedOcc 0
29 mol 69 unq 1 iso 0 dist 8.36667 8.70964 11.5923 8.52371 13.689 10.2661 numMergedOcc 0
30 mol 69 unq 2 iso 0 dist 8.36667 8.70964 11.5923 6.8198 5.23597 8.09841 numMergedOcc 0
31 mol 87 unq 0 iso 0 dist 9.10245 9.90256 5.83874 5.26938 5.39287 5.30415 numMergedOcc 0
32 mol 87 unq 1 iso 0 dist 9.10245 9.90256 5.83874 8.91602 11.6194 11.2095 numMergedOcc 0
33 mol 87 unq 2 iso 0 dist 9.10245 5.63748 7.43534 5.26938 5.39287 5.507 numMergedOcc 0
34 mol 87 unq 3 iso 0 dist 9.10245 5.63748 7.43534 8.91602 11.6194 7.26523 numMergedOcc 0
35 mol 112 unq 0 iso 0 dist 9.42175 9.42014 5.44978 5.81552 9.60908 6.29923 numMergedOcc 0
36 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.97879 8.15877 5.0333 numMergedOcc 0
37 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 6.65963 5.38 4.98711 numMergedOcc 0
38 mol 127 unq 1 iso 0 dist 8.98151 5.83719 8.21735 8.62711 6.75619 11.2447 numMergedOcc 0
39 mol 133 unq 0 iso 0 dist 9.6582 9.23104 12.4825 5.97805 12.6081 4.80228 numMergedOcc 0
40 mol 133 unq 1 iso 0 dist 5.17734 9.23104 7.75771 5.97805 5.26273 4.80228 numMergedOcc 0
41 mol 143 unq 0 iso 0 dist 6.68364 6.87456 7.87375 5.30872 5.4432 8.03483 numMergedOcc 0
42 mol 159 unq 0 iso 0 dist 7.60912 9.54337 6.50839 8.55431 8.50143 12.3309 numMergedOcc 0
43 mol 159 unq 1 iso 0 dist 7.60912 6.86212 8.83633 8.55431 8.50143 5.10423 numMergedOcc 0
44 mol 159 unq 2 iso 0 dist 7.60912 9.9368 13.4546 8.55431 8.50143 7.18851 numMergedOcc 0
45 mol 162 unq 0 iso 0 dist 8.954 6.59407 7.84996 9.42819 8.35998 9.00663 numMergedOcc 0
46 mol 167 unq 0 iso 0 dist 9.82329 7.20545 9.97915 8.58946 13.1346 4.70374 numMergedOcc 0
47 mol 171 unq 0 iso 0 dist 9.47945 6.19457 10.2353 6.01711 5.53673 6.89436 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 6.47689 8.92801 7.11585 9.63295 5.16386 9.40823 numMergedOcc 0
49 mol 181 unq 1 iso 0 dist 6.47689 9.40718 5.15002 9.63295 5.16386 5.32364 numMergedOcc 0
50 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 6.99623 6.3719 5.25279 numMergedOcc 0
51 mol 186 unq 1 iso 0 dist 7.02662 8.72949 8.01622 6.99623 6.3719 5.80721 numMergedOcc 0
52 mol 186 unq 2 iso 0 dist 9.94142 8.46819 8.05438 8.93307 11.5966 4.37376 numMergedOcc 0
53 mol 217 unq 0 iso 0 dist 6.01666 7.60302 5.16489 9.90668 5.42652 8.92136 numMergedOcc 0
54 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 8.9077 4.90657 13.6952 numMergedOcc 0
55 mol 220 unq 1 iso 0 dist 7.86207 8.57174 14.3078 8.9077 4.90657 13.8822 numMergedOcc 0
56 mol 220 unq 2 iso 0 dist 7.35148 6.39087 11.4142 7.30244 10.48 12.2765 numMergedOcc 0
57 mol 220 unq 3 iso 0 dist 7.35148 6.39087 11.4142 7.29796 5.23846 13.2427 numMergedOcc 0
58 mol 220 unq 4 iso 0 dist 7.57716 6.50756 8.34243 9.85951 9.86723 5.55687 numMergedOcc 0
59 mol 220 unq 5 iso 0 dist 8.98362 6.50756 5.82963 9.85951 6.80494 5.55687 numMergedOcc 0
60 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 9.94212 18.385 15.9255 numMergedOcc 0
61 mol 223 unq 1 iso 0 dist 9.29204 6.97426 4.73988 7.34316 8.16187 8.64175 numMergedOcc 0
62 mol 223 unq 2 iso 0 dist 9.29204 8.87456 8.36102 9.94212 18.385 17.7343 numMergedOcc 0
63 mol 223 unq 3 iso 0 dist 9.29204 8.87456 8.36102 7.34316 8.16187 12.9895 numMergedOcc 0
64 mol 223 unq 4 iso 0 dist 9.14789 6.97426 4.78255 9.94212 19.0281 15.9255 numMergedOcc 0
65 mol 223 unq 5 iso 0 dist 9.14789 6.97426 4.78255 7.34316 11.2364 8.64175 numMergedOcc 0
66 mol 223 unq 6 iso 0 dist 9.14789 8.87456 5.43913 9.94212 19.0281 17.7343 numMergedOcc 0
67 mol 223 unq 7 iso 0 dist 9.14789 8.87456 5.43913 7.34316 11.2364 12.9895 numMergedOcc 0
68 mol 223 unq 8 iso 0 dist 7.80764 6.97426 12.6805 9.94212 4.67731 15.9255 numMergedOcc 0
69 mol 223 unq 9 iso 0 dist 7.80764 6.97426 12.6805 7.34316 11.4951 8.64175 numMergedOcc 0
70 mol 223 unq 10 iso 0 dist 7.80764 8.87456 13.9763 9.94212 4.67731 17.7343 numMergedOcc 0
71 mol 223 unq 11 iso 0 dist 7.80764 8.87456 13.9763 7.34316 11.4951 12.9895 numMergedOcc 0
72 mol 223 unq 12 iso 0 dist 5.75896 6.97426 10.6184 9.94212 7.19485 15.9255 numMergedOcc 0
73 mol 223 unq 13 iso 0 dist 5.75896 6.97426 10.6184 7.34316 5.18719 8.64175 numMergedOcc 0
74 mol 223 unq 14 iso 0 dist 5.75896 8.87456 13.8469 9.94212 7.19485 17.7343 numMergedOcc 0
75 mol 223 unq 15 iso 0 dist 5.75896 8.87456 13.8469 7.34316 5.18719 12.9895 numMergedOcc 0
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80 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 numMergedOcc 0
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83 mol 258 unq 1 iso 0 dist 6.08181 8.10903 10.8957 8.81059 13.8694 5.90131 numMergedOcc 0
84 mol 258 unq 2 iso 0 dist 6.08181 8.10903 10.8957 9.12006 14.0402 9.68064 numMergedOcc 0
85 mol 258 unq 3 iso 0 dist 6.08181 7.25618 11.0025 9.67877 5.09738 15.0574 numMergedOcc 0
86 mol 258 unq 4 iso 0 dist 6.08181 7.25618 11.0025 8.81059 13.8694 4.51422 numMergedOcc 0
87 mol 258 unq 5 iso 0 dist 6.08181 7.25618 11.0025 9.12006 14.0402 4.99997 numMergedOcc 0
88 mol 258 unq 6 iso 0 dist 7.70189 8.10903 5.27718 9.67877 10.4667 13.3533 numMergedOcc 0
89 mol 258 unq 7 iso 0 dist 7.70189 8.10903 5.27718 8.81059 9.22664 5.90131 numMergedOcc 0
90 mol 258 unq 8 iso 0 dist 7.70189 8.10903 5.27718 9.12006 13.0489 9.68064 numMergedOcc 0
91 mol 258 unq 9 iso 0 dist 7.70189 7.25618 9.46467 9.67877 10.4667 15.0574 numMergedOcc 0
92 mol 258 unq 10 iso 0 dist 7.70189 7.25618 9.46467 8.81059 9.22664 4.51422 numMergedOcc 0
93 mol 258 unq 11 iso 0 dist 7.70189 7.25618 9.46467 9.12006 13.0489 4.99997 numMergedOcc 0
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95 mol 261 unq 1 iso 0 dist 6.41477 8.88741 10.1876 9.43169 8.80293 7.78464 numMergedOcc 0
96 mol 261 unq 2 iso 0 dist 9.70222 4.85199 10.6318 7.6414 11.544 4.25662 numMergedOcc 0
97 mol 261 unq 3 iso 0 dist 9.70222 9.72159 4.97878 7.6414 11.544 12.864 numMergedOcc 0
98 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 9.81087 7.96313 7.24261 numMergedOcc 0
99 mol 276 unq 0 iso 0 dist 9.68846 9.87655 4.97223 8.95876 13.702 11.5806 numMergedOcc 0
100 mol 276 unq 1 iso 0 dist 9.68846 9.87655 4.97223 8.259 6.21925 6.7181 numMergedOcc 0
101 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 6.47376 5.34376 4.51031 numMergedOcc 0
102 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 6.47376 5.86731 4.51031 numMergedOcc 0
103 mol 281 unq 0 iso 0 dist 6.7897 6.58925 4.37855 9.48968 5.71767 9.49279 numMergedOcc 0
