0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 15.5737 9.68596 14.7759 12.1855 9.87885 12.8323 10.1841 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22805 6.96396 7.10621 13.6771 8.72114 13.8829 12.2255 9.67164 13.156 5.5683 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 8.7316 8.70827 5.59311 5.06352 6.6219 4.82629 4.04519 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 8.7316 8.70827 5.59311 7.63533 5.68215 10.1698 13.7009 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.35095 5.76725 5.54419 10.9987 6.73939 12.176 5.06352 6.6219 4.82629 12.5545 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.35095 5.76725 5.54419 10.9987 6.73939 12.176 7.63533 5.68215 10.1698 4.08755 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.87895 5.75653 7.36323 5.076 9.12854 5.59311 6.87351 8.87744 6.28159 9.86385 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.87895 5.75653 7.36323 5.076 9.12854 5.59311 7.79018 7.27472 5.50396 10.4353 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.23292 12.4427 5.04899 14.4951 7.45383 7.33728 13.0315 6.55597 4.69295 4.98822 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 8.23292 12.4427 5.04899 14.4951 7.45383 7.33728 11.7739 7.52933 5.03027 11.0227 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 8.23292 12.4427 5.04899 14.4951 7.45383 7.33728 9.6847 9.71956 12.2542 10.3547 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 8.23292 12.4427 5.04899 14.4951 7.45383 7.33728 9.50063 7.07751 8.79309 7.91914 numMergedOcc 0
12 mol 25 unq 4 iso 0 dist 8.23292 12.4427 5.04899 14.4951 7.45383 7.33728 9.6251 8.23761 8.17061 11.7069 numMergedOcc 0
13 mol 25 unq 5 iso 0 dist 8.23292 12.4427 5.04899 14.4951 7.45383 7.33728 10.985 9.49421 13.6145 9.62058 numMergedOcc 0
14 mol 25 unq 6 iso 0 dist 8.23292 12.4427 5.04899 6.39668 9.01548 13.9331 13.0315 6.55597 4.69295 13.4321 numMergedOcc 0
15 mol 25 unq 7 iso 0 dist 8.23292 12.4427 5.04899 6.39668 9.01548 13.9331 9.6847 9.71956 12.2542 8.84447 numMergedOcc 0
16 mol 25 unq 8 iso 0 dist 8.23292 12.4427 5.04899 6.39668 9.01548 13.9331 9.50063 7.07751 8.79309 9.66912 numMergedOcc 0
17 mol 25 unq 9 iso 0 dist 8.23292 12.4427 5.04899 6.39668 9.01548 13.9331 9.6251 8.23761 8.17061 13.1117 numMergedOcc 0
18 mol 25 unq 10 iso 0 dist 8.23292 12.4427 5.04899 6.39668 9.01548 13.9331 11.7739 7.52933 5.03027 15.1255 numMergedOcc 0
19 mol 25 unq 11 iso 0 dist 8.23292 12.4427 5.04899 6.39668 9.01548 13.9331 10.985 9.49421 13.6145 5.38592 numMergedOcc 0
20 mol 59 unq 0 iso 0 dist 6.46655 8.94845 7.17396 7.02802 8.08618 6.90592 9.85425 6.56212 7.31539 5.56986 numMergedOcc 0
21 mol 59 unq 1 iso 0 dist 6.46655 6.32263 9.21998 7.02802 8.08618 7.6021 9.85425 6.56212 11.1607 5.56986 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 8.26838 4.33346 9.03572 9.61054 9.49454 13.3662 8.32734 8.27883 4.99174 15.7954 numMergedOcc 0
23 mol 95 unq 1 iso 0 dist 8.26838 4.33346 9.03572 9.61054 9.49454 13.3662 4.79063 5.75428 4.46005 10.4348 numMergedOcc 0
24 mol 95 unq 2 iso 0 dist 8.26838 4.33346 9.03572 9.61054 9.49454 13.3662 4.05985 8.57395 8.28518 5.88327 numMergedOcc 0
25 mol 95 unq 3 iso 0 dist 8.26838 4.33346 9.03572 9.61054 9.49454 13.3662 12.6917 9.85409 15.917 3.96826 numMergedOcc 0
26 mol 95 unq 4 iso 0 dist 8.26838 7.47119 8.83255 9.61054 9.49454 12.0666 8.32734 8.27883 8.67311 15.7954 numMergedOcc 0
27 mol 95 unq 5 iso 0 dist 8.26838 7.47119 8.83255 9.61054 9.49454 12.0666 4.79063 5.75428 3.94293 10.4348 numMergedOcc 0
28 mol 95 unq 6 iso 0 dist 8.26838 7.47119 8.83255 9.61054 9.49454 12.0666 4.05985 8.57395 9.22202 5.88327 numMergedOcc 0
29 mol 95 unq 7 iso 0 dist 8.26838 7.47119 8.83255 9.61054 9.49454 12.0666 12.6917 9.85409 13.7484 3.96826 numMergedOcc 0
30 mol 95 unq 8 iso 0 dist 8.26838 15.4217 8.03644 9.61054 9.49454 11.4333 8.32734 8.27883 15.6249 15.7954 numMergedOcc 0
31 mol 95 unq 9 iso 0 dist 8.26838 15.4217 8.03644 9.61054 9.49454 11.4333 4.79063 5.75428 12.4896 10.4348 numMergedOcc 0
32 mol 95 unq 10 iso 0 dist 8.26838 15.4217 8.03644 9.61054 9.49454 11.4333 4.05985 8.57395 14.2178 5.88327 numMergedOcc 0
33 mol 95 unq 11 iso 0 dist 8.26838 15.4217 8.03644 9.61054 9.49454 11.4333 12.6917 9.85409 8.78079 3.96826 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 7.15203 5.38237 7.24514 5.86611 7.71248 4.34568 5.94578 8.26547 5.03174 8.88402 numMergedOcc 0
35 mol 133 unq 1 iso 0 dist 7.15203 9.71227 8.22656 5.86611 7.71248 10.6025 5.94578 8.26547 4.88025 8.88402 numMergedOcc 0
36 mol 143 unq 0 iso 0 dist 7.5984 5.11989 5.99315 11.4055 7.78652 6.48978 14.6282 7.36975 13.1926 12.207 numMergedOcc 0
37 mol 143 unq 1 iso 0 dist 7.5984 5.11989 5.99315 11.4055 7.78652 6.48978 7.11802 5.40637 7.39837 10.0079 numMergedOcc 0
38 mol 143 unq 2 iso 0 dist 7.5984 5.11989 5.99315 9.54731 8.91301 5.20762 14.6282 7.36975 13.1926 14.7271 numMergedOcc 0
39 mol 143 unq 3 iso 0 dist 7.5984 5.11989 5.99315 9.54731 8.91301 5.20762 7.11802 5.40637 7.39837 9.05366 numMergedOcc 0
40 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 6.0361 8.73217 11.7429 5.85073 6.61112 11.0961 4.03697 numMergedOcc 0
41 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 16.5925 9.68728 7.67571 5.99091 7.9133 10.7169 14.0756 numMergedOcc 0
42 mol 204 unq 1 iso 0 dist 7.7292 9.54287 8.51516 16.5925 9.68728 10.8573 5.99091 7.9133 5.57347 14.0756 numMergedOcc 0
43 mol 222 unq 0 iso 0 dist 7.27481 5.68063 6.00706 13.0565 9.07471 7.75466 12.9462 6.74196 8.84507 4.67663 numMergedOcc 0
44 mol 222 unq 1 iso 0 dist 7.27481 5.68063 6.00706 13.0565 9.07471 7.75466 9.50604 8.36842 6.02502 6.37382 numMergedOcc 0
45 mol 222 unq 2 iso 0 dist 7.27481 5.68063 6.00706 13.0565 9.07471 7.75466 9.68195 9.75472 5.18677 6.31322 numMergedOcc 0
46 mol 222 unq 3 iso 0 dist 7.27481 5.90074 7.54212 13.0565 9.07471 13.3447 12.9462 6.74196 12.8595 4.67663 numMergedOcc 0
47 mol 222 unq 4 iso 0 dist 7.27481 5.90074 7.54212 13.0565 9.07471 13.3447 9.50604 8.36842 12.5866 6.37382 numMergedOcc 0
48 mol 222 unq 5 iso 0 dist 7.27481 5.90074 7.54212 13.0565 9.07471 13.3447 9.68195 9.75472 11.9567 6.31322 numMergedOcc 0
49 mol 223 unq 0 iso 0 dist 9.94212 11.4946 8.77153 10.5593 7.48463 11.8654 8.1388 6.42257 4.04036 10.5752 numMergedOcc 0
50 mol 223 unq 1 iso 0 dist 9.94212 11.4946 8.77153 10.5593 7.48463 11.8654 14.288 9.33543 13.1538 3.86668 numMergedOcc 0
51 mol 223 unq 2 iso 0 dist 9.94212 13.1422 8.6166 10.5593 7.48463 6.05524 8.1388 6.42257 9.47076 10.5752 numMergedOcc 0
52 mol 223 unq 3 iso 0 dist 9.94212 13.1422 8.6166 10.5593 7.48463 6.05524 14.288 9.33543 5.39728 3.86668 numMergedOcc 0
53 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 15.5413 9.05071 8.80479 6.2559 6.71524 5.10213 11.2243 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 7.39099 7.98231 8.41846 8.41608 9.46361 12.2293 4.10176 numMergedOcc 0
55 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 7.39099 7.98231 8.81835 8.41608 9.46361 11.6988 4.10176 numMergedOcc 0
