0 mol 7 unq 0 iso 0 dist 6.02702 15.9584 9.97624 10.2465 5.5683 8.81608 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.72114 10.515 9.97624 9.67164 5.5683 8.81608 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 6.42748 6.67334 6.50647 8.85174 5.20798 9.51568 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 7.48342 6.29685 6.50647 9.84471 5.20798 9.51568 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.01548 4.70708 6.63839 9.49421 5.38592 8.53931 numMergedOcc 0
5 mol 27 unq 0 iso 0 dist 9.52474 7.50515 7.60283 10.757 13.4461 6.78936 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 7.99969 6.68431 4.62858 7.26268 6.30042 8.74576 numMergedOcc 0
7 mol 41 unq 0 iso 0 dist 8.51663 5.0364 6.42834 11.3157 11.5146 7.29079 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 9.53378 5.54436 5.55096 10.7109 4.06745 5.81001 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 8.80614 13.9007 7.6481 12.8149 5.45005 8.13051 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.56205 11.7069 6.04903 9.69044 4.09232 9.1062 numMergedOcc 0
11 mol 62 unq 1 iso 0 dist 4.74544 5.49555 6.04903 6.9103 4.09232 9.1062 numMergedOcc 0
12 mol 67 unq 0 iso 0 dist 9.49144 13.2018 9.0008 11.1957 5.26394 8.96498 numMergedOcc 0
13 mol 67 unq 1 iso 0 dist 9.49144 13.2018 9.0008 19.3833 14.1568 7.5228 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 6.7117 8.70415 6.0129 9.81956 3.92737 4.44979 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 6.7117 8.70415 6.0129 5.10496 3.94967 6.61111 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 4.47349 10.0962 6.0129 7.54889 3.92737 4.44979 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 4.47349 10.0962 6.0129 5.2571 3.94967 6.61111 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 5.65185 11.2452 6.0129 7.78931 3.92737 4.44979 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 5.65185 11.2452 6.0129 8.7497 3.94967 6.61111 numMergedOcc 0
20 mol 114 unq 0 iso 0 dist 6.84011 8.88748 5.79343 10.2365 4.08391 5.51885 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 6.30546 7.01257 7.36017 8.96947 3.9234 8.7789 numMergedOcc 0
22 mol 126 unq 1 iso 0 dist 6.30546 7.01257 7.36017 11.4624 5.50104 9.93613 numMergedOcc 0
23 mol 126 unq 2 iso 0 dist 6.29233 5.15767 5.14819 12.0971 6.1079 8.7789 numMergedOcc 0
24 mol 126 unq 3 iso 0 dist 6.29233 5.15767 5.14819 11.8923 7.02562 9.93613 numMergedOcc 0
25 mol 126 unq 4 iso 0 dist 5.42406 5.15767 6.84245 12.0971 9.58426 8.7789 numMergedOcc 0
26 mol 126 unq 5 iso 0 dist 5.42406 5.15767 6.84245 11.8923 11.1195 9.93613 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 9.22232 12.0863 8.21165 12.5855 12.3375 8.55349 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 9.22661 4.68409 6.51868 13.5288 10.0161 9.10003 numMergedOcc 0
29 mol 133 unq 2 iso 0 dist 7.56378 4.68409 7.34698 13.5288 11.7838 9.10003 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 7.69991 6.69989 8.55616 12.4385 11.5269 6.44575 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 7.69991 6.69989 8.55616 11.2896 6.93712 7.43401 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 6.23142 5.3585 8.55616 11.0808 11.5269 6.44575 numMergedOcc 0
33 mol 134 unq 3 iso 0 dist 6.23142 5.3585 8.55616 9.33094 6.93712 7.43401 numMergedOcc 0
34 mol 134 unq 4 iso 0 dist 9.94764 6.74887 8.55616 9.1998 11.5269 6.44575 numMergedOcc 0
35 mol 134 unq 5 iso 0 dist 9.94764 6.74887 8.55616 8.69531 6.93712 7.43401 numMergedOcc 0
36 mol 134 unq 6 iso 0 dist 9.14926 14.0712 8.84087 12.8939 5.23961 5.06715 numMergedOcc 0
37 mol 134 unq 7 iso 0 dist 9.14926 11.9684 6.32615 12.8939 5.23961 6.14686 numMergedOcc 0
38 mol 134 unq 8 iso 0 dist 9.14926 9.05089 7.73791 12.8939 5.23961 8.22942 numMergedOcc 0
39 mol 134 unq 9 iso 0 dist 9.14926 5.37476 6.75145 12.8939 5.23961 8.50502 numMergedOcc 0
40 mol 134 unq 10 iso 0 dist 9.14926 10.3289 8.1856 12.8939 5.23961 6.68164 numMergedOcc 0
41 mol 143 unq 0 iso 0 dist 7.78652 6.01455 6.46089 7.36975 12.207 7.05845 numMergedOcc 0
42 mol 159 unq 0 iso 0 dist 9.17787 6.49376 6.72852 13.15 5.72663 8.88492 numMergedOcc 0
43 mol 159 unq 1 iso 0 dist 8.4858 6.49376 8.52082 13.15 13.0629 8.88492 numMergedOcc 0
44 mol 167 unq 0 iso 0 dist 9.67741 6.36909 7.80054 7.20495 5.43662 9.1326 numMergedOcc 0
45 mol 167 unq 1 iso 0 dist 9.67741 6.36909 7.80054 7.02548 5.95858 7.30954 numMergedOcc 0
46 mol 168 unq 0 iso 0 dist 7.44629 8.67522 7.60254 6.02086 4.02702 7.06851 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 5.94469 6.7991 7.05653 6.64173 4.98436 9.09234 numMergedOcc 0
48 mol 181 unq 1 iso 0 dist 5.94469 6.7991 7.05653 9.01624 11.9796 6.76746 numMergedOcc 0
49 mol 181 unq 2 iso 0 dist 5.94469 6.7991 7.05653 9.55105 12.3589 8.92098 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 5.41321 6.43754 7.57454 9.91384 12.8337 7.79951 numMergedOcc 0
51 mol 234 unq 0 iso 0 dist 7.32499 5.9221 7.43663 8.84746 11.1693 8.27411 numMergedOcc 0
52 mol 234 unq 1 iso 0 dist 7.32499 5.9221 7.43663 11.1846 10.7351 6.96257 numMergedOcc 0
53 mol 237 unq 0 iso 0 dist 7.41478 6.56344 5.98039 11.0148 4.08768 7.12731 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 7.57812 13.171 8.09718 18.042 15.3328 8.69525 numMergedOcc 0
55 mol 238 unq 1 iso 0 dist 9.24557 11.9142 8.09718 19.192 15.3328 8.69525 numMergedOcc 0
56 mol 238 unq 2 iso 0 dist 8.69104 13.171 6.73446 18.042 10.3346 8.69525 numMergedOcc 0
57 mol 243 unq 0 iso 0 dist 7.49645 5.70464 7.12785 12.3379 10.1372 9.33476 numMergedOcc 0
58 mol 243 unq 1 iso 0 dist 9.9222 10.3961 7.12785 17.256 10.1372 9.33476 numMergedOcc 0
59 mol 259 unq 0 iso 0 dist 7.98231 11.6195 8.71497 14.2242 7.57379 8.84648 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 7.98231 11.6195 8.71497 10.3406 4.47425 6.23661 numMergedOcc 0
61 mol 259 unq 2 iso 0 dist 7.08526 5.79468 8.71497 11.7465 7.57379 8.84648 numMergedOcc 0
62 mol 259 unq 3 iso 0 dist 7.08526 5.79468 8.71497 5.85442 4.47425 6.23661 numMergedOcc 0
63 mol 279 unq 0 iso 0 dist 7.23721 5.34838 9.24367 10.2562 9.85432 6.0283 numMergedOcc 0
64 mol 287 unq 0 iso 0 dist 8.91712 4.62998 5.59555 13.0848 5.97664 8.59762 numMergedOcc 0
65 mol 287 unq 1 iso 0 dist 9.65934 7.23534 5.59555 7.45616 5.97664 8.59762 numMergedOcc 0
66 mol 288 unq 0 iso 0 dist 8.91712 4.62998 5.59555 13.0848 5.97664 8.59762 numMergedOcc 0
67 mol 288 unq 1 iso 0 dist 9.65934 7.23534 5.59555 7.45616 5.97664 8.59762 numMergedOcc 0
68 mol 289 unq 0 iso 0 dist 8.91712 4.62998 5.59555 13.0848 5.97664 8.59762 numMergedOcc 0
69 mol 289 unq 1 iso 0 dist 9.65934 7.23534 5.59555 7.45616 5.97664 8.59762 numMergedOcc 0
70 mol 292 unq 0 iso 0 dist 9.88863 5.98906 5.7131 9.74118 3.92782 6.1905 numMergedOcc 0
71 mol 292 unq 1 iso 0 dist 9.88863 5.98906 5.7131 11.3379 5.93687 5.84792 numMergedOcc 0
72 mol 292 unq 2 iso 0 dist 9.88863 5.98906 5.7131 14.1177 9.40023 8.73515 numMergedOcc 0
