0 mol 7 unq 0 iso 0 dist 6.22805 6.96396 7.10621 5.99355 5.72491 5.44992 12.2255 9.67164 13.156 8.0744 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 6.80952 4.93188 4.33963 5.06352 6.6219 4.82629 8.32592 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 6.80952 4.93188 4.33963 7.63533 5.68215 10.1698 8.10397 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.87895 5.75653 7.36323 9.6739 9.24958 4.33963 6.87351 8.87744 6.28159 7.55689 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.87895 5.75653 7.36323 9.6739 9.24958 4.33963 7.79018 7.27472 5.50396 5.11135 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 5.33732 6.6492 9.20601 13.0315 6.55597 4.69295 8.89681 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 5.33732 6.6492 9.20601 9.6847 9.71956 12.2542 6.97709 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 8.23292 12.4427 5.04899 5.33732 6.6492 9.20601 9.50063 7.07751 8.79309 5.5511 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 8.23292 12.4427 5.04899 5.33732 6.6492 9.20601 11.7739 7.52933 5.03027 7.41888 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 8.23292 12.4427 5.04899 5.33732 6.6492 9.20601 9.6251 8.23761 8.17061 4.38027 numMergedOcc 0
10 mol 25 unq 5 iso 0 dist 8.23292 12.4427 5.04899 5.33732 6.6492 9.20601 10.985 9.49421 13.6145 11.7199 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 6.46655 8.94845 7.17396 9.70283 8.64015 11.0904 9.85425 6.56212 7.31539 4.88345 numMergedOcc 0
12 mol 59 unq 1 iso 0 dist 6.46655 6.32263 9.21998 9.70283 8.64015 12.9211 9.85425 6.56212 11.1607 4.88345 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 14.8714 8.73253 8.26458 10.7557 8.68662 6.20232 10.9746 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 14.8714 8.73253 8.26458 11.1632 7.4369 5.70116 7.8972 numMergedOcc 0
15 mol 73 unq 2 iso 0 dist 5.79954 14.1415 9.38498 5.67493 7.04044 15.7304 11.5216 9.73086 17.4121 7.8972 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 5.67493 7.04044 8.26458 11.5216 9.73086 5.70116 7.8972 numMergedOcc 0
17 mol 73 unq 4 iso 0 dist 5.79954 9.65653 9.75218 5.67493 7.04044 8.35241 11.5216 9.73086 14.844 7.8972 numMergedOcc 0
18 mol 73 unq 5 iso 0 dist 7.01889 7.9573 9.38498 11.2215 7.04044 15.7304 16.3376 9.73086 17.4121 7.8972 numMergedOcc 0
19 mol 73 unq 6 iso 0 dist 7.01889 15.0744 9.96396 11.2215 7.04044 8.26458 16.3376 9.73086 5.70116 7.8972 numMergedOcc 0
20 mol 73 unq 7 iso 0 dist 7.01889 8.11922 9.75218 11.2215 7.04044 8.35241 16.3376 9.73086 14.844 7.8972 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 9.43616 10.746 7.71338 5.51584 6.47042 10.0814 6.13615 8.47988 6.95317 8.90959 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 9.43616 10.746 7.71338 5.51584 6.47042 10.0814 4.49971 8.0427 7.57713 4.4941 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 7.5984 5.11989 5.99315 11.1239 8.41611 12.7056 14.6282 7.36975 13.1926 9.05786 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 7.5984 5.11989 5.99315 11.1239 8.41611 12.7056 7.11802 5.40637 7.39837 6.16103 numMergedOcc 0
25 mol 143 unq 2 iso 0 dist 7.5984 5.11989 5.99315 14.3979 7.63338 12.8872 14.6282 7.36975 13.1926 3.75378 numMergedOcc 0
26 mol 143 unq 3 iso 0 dist 7.5984 5.11989 5.99315 14.3979 7.63338 12.8872 7.11802 5.40637 7.39837 8.4697 numMergedOcc 0
27 mol 143 unq 4 iso 0 dist 7.5984 5.11989 5.99315 9.05442 9.03707 7.76364 14.6282 7.36975 13.1926 14.0356 numMergedOcc 0
28 mol 143 unq 5 iso 0 dist 7.5984 5.11989 5.99315 9.05442 9.03707 7.76364 7.11802 5.40637 7.39837 5.41614 numMergedOcc 0
29 mol 143 unq 6 iso 0 dist 7.5984 5.11989 5.99315 12.1804 7.25673 9.23795 14.6282 7.36975 13.1926 9.30534 numMergedOcc 0
30 mol 143 unq 7 iso 0 dist 7.5984 5.11989 5.99315 12.1804 7.25673 9.23795 7.11802 5.40637 7.39837 6.78032 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 8.19136 7.20574 8.90184 5.85073 6.61112 11.0961 8.58039 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 12.0796 6.85441 8.17229 5.99091 7.9133 10.7169 9.54203 numMergedOcc 0
33 mol 204 unq 1 iso 0 dist 7.7292 9.54287 8.51516 12.0796 6.85441 5.74707 5.99091 7.9133 5.57347 9.54203 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 9.40003 16.5528 9.65138 12.2978 6.38157 7.38025 7.66602 7.46481 11.4955 5.73082 numMergedOcc 0
35 mol 214 unq 1 iso 0 dist 9.40003 9.11345 7.14453 12.2978 6.38157 9.35273 7.66602 7.46481 8.459 5.73082 numMergedOcc 0
36 mol 214 unq 2 iso 0 dist 9.40003 16.922 8.85478 12.2978 6.38157 5.63388 7.66602 7.46481 11.1534 5.73082 numMergedOcc 0
37 mol 214 unq 3 iso 0 dist 8.68385 10.2443 9.65138 11.7781 6.38157 7.38025 15.5553 7.46481 11.4955 5.73082 numMergedOcc 0
38 mol 214 unq 4 iso 0 dist 8.68385 12.5421 7.14453 11.7781 6.38157 9.35273 15.5553 7.46481 8.459 5.73082 numMergedOcc 0
39 mol 214 unq 5 iso 0 dist 8.68385 9.18071 8.85478 11.7781 6.38157 5.63388 15.5553 7.46481 11.1534 5.73082 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 10.5003 8.48341 6.03524 12.9462 6.74196 8.84507 9.0716 numMergedOcc 0
41 mol 222 unq 1 iso 0 dist 7.27481 5.68063 6.00706 10.5003 8.48341 6.03524 9.50604 8.36842 6.02502 10.5383 numMergedOcc 0
42 mol 222 unq 2 iso 0 dist 7.27481 5.68063 6.00706 10.5003 8.48341 6.03524 9.68195 9.75472 5.18677 8.90753 numMergedOcc 0
43 mol 222 unq 3 iso 0 dist 7.27481 5.90074 7.54212 10.5003 8.48341 7.60395 12.9462 6.74196 12.8595 9.0716 numMergedOcc 0
44 mol 222 unq 4 iso 0 dist 7.27481 5.90074 7.54212 10.5003 8.48341 7.60395 9.50604 8.36842 12.5866 10.5383 numMergedOcc 0
45 mol 222 unq 5 iso 0 dist 7.27481 5.90074 7.54212 10.5003 8.48341 7.60395 9.68195 9.75472 11.9567 8.90753 numMergedOcc 0
46 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 6.33419 6.13306 6.52273 8.1388 6.42257 4.04036 4.40141 numMergedOcc 0
47 mol 223 unq 1 iso 0 dist 9.94212 11.4946 8.77153 6.33419 6.13306 6.52273 14.288 9.33543 13.1538 9.63911 numMergedOcc 0
48 mol 223 unq 2 iso 0 dist 9.94212 13.1422 8.6166 6.33419 6.13306 7.12885 8.1388 6.42257 9.47076 4.40141 numMergedOcc 0
49 mol 223 unq 3 iso 0 dist 9.94212 13.1422 8.6166 6.33419 6.13306 7.12885 14.288 9.33543 5.39728 9.63911 numMergedOcc 0
50 mol 229 unq 0 iso 0 dist 8.0007 5.29674 9.87838 7.57247 5.77318 7.7339 6.80826 6.95201 4.61227 6.93188 numMergedOcc 0
51 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 6.4535 7.83711 8.25884 6.2559 6.71524 5.10213 8.03712 numMergedOcc 0
52 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 7.05684 8.50331 7.22918 5.3331 9.3206 4.27181 5.59363 numMergedOcc 0
53 mol 236 unq 1 iso 0 dist 6.36941 4.88785 7.68742 7.05684 8.50331 9.05842 5.3331 9.3206 4.89609 5.59363 numMergedOcc 0
54 mol 236 unq 2 iso 0 dist 6.36941 10.2557 6.27581 7.05684 8.50331 7.00028 5.3331 9.3206 10.5774 5.59363 numMergedOcc 0
55 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 4.01898 6.17052 5.99459 9.33595 9.05018 4.58289 7.14182 numMergedOcc 0
