0 mol 10 unq 0 iso 0 dist 8.00369 7.99067 5.59965 12.8238 4.99208 9.43029 14.8424 9.76721 7.8329 9.80612 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.2004 4.82556 5.95834 14.5223 12.5545 9.73647 5.02954 4.11146 5.9372 13.9367 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.2004 4.82556 5.95834 14.5223 12.5545 9.73647 9.31178 7.83331 8.17583 13.1947 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.2004 4.82556 5.95834 9.3934 4.08755 7.26334 5.02954 4.11146 5.9372 5.95865 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.2004 4.82556 5.95834 9.3934 4.08755 7.26334 9.31178 7.83331 8.17583 6.61332 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.2004 4.82556 5.95834 6.01284 6.86136 5.78532 5.02954 4.11146 5.9372 3.33439 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.2004 4.82556 5.95834 6.01284 6.86136 5.78532 9.31178 7.83331 8.17583 3.64811 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.2004 6.25108 4.2121 9.3934 4.08755 6.19899 11.9085 6.22954 7.03544 3.53396 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.2004 6.25108 4.2121 9.3934 4.08755 6.19899 5.02954 4.11146 6.93597 5.95865 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 6.2004 6.25108 4.2121 6.01284 6.86136 8.49709 11.9085 6.22954 7.03544 10.8745 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 6.2004 6.25108 4.2121 6.01284 6.86136 8.49709 5.02954 4.11146 6.93597 3.33439 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 6.2004 11.8207 6.72323 9.3934 4.08755 6.61696 17.6589 12.2839 7.85986 9.24731 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 6.2004 11.8207 6.72323 9.3934 4.08755 6.61696 11.9085 6.22954 4.30252 3.53396 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 6.2004 11.8207 6.72323 15.1479 10.0453 5.80953 17.6589 12.2839 7.85986 11.1587 numMergedOcc 0
14 mol 24 unq 13 iso 0 dist 6.2004 11.8207 6.72323 15.1479 10.0453 5.80953 11.9085 6.22954 4.30252 8.72577 numMergedOcc 0
15 mol 26 unq 0 iso 0 dist 6.74848 5.45023 6.56527 7.90721 10.0347 6.7142 13.5481 12.5394 9.11311 7.78809 numMergedOcc 0
16 mol 48 unq 0 iso 0 dist 7.59316 4.16161 8.29857 8.72469 9.02536 6.03404 8.48319 12.4707 8.12997 7.01802 numMergedOcc 0
17 mol 48 unq 1 iso 0 dist 7.59316 4.16161 8.29857 8.72469 9.02536 6.03404 5.54554 8.98812 6.13153 6.13982 numMergedOcc 0
18 mol 48 unq 2 iso 0 dist 7.59316 4.16161 8.29857 8.72469 9.02536 6.03404 6.84514 3.50984 5.7836 6.71583 numMergedOcc 0
19 mol 48 unq 3 iso 0 dist 7.59316 4.16161 8.29857 8.72469 9.02536 6.03404 10.9243 11.7253 7.32996 3.34853 numMergedOcc 0
20 mol 48 unq 4 iso 0 dist 7.59316 4.16161 8.29857 8.72469 9.02536 6.03404 8.95402 12.69 5.89173 5.12352 numMergedOcc 0
21 mol 48 unq 5 iso 0 dist 7.51285 4.20245 8.19993 8.92642 9.12073 6.07052 8.3985 12.5401 7.84895 7.14332 numMergedOcc 0
22 mol 48 unq 6 iso 0 dist 7.51285 4.20245 8.19993 8.92642 9.12073 6.07052 5.5232 9.01489 5.8541 6.15265 numMergedOcc 0
23 mol 48 unq 7 iso 0 dist 7.51285 4.20245 8.19993 8.92642 9.12073 6.07052 7.05619 3.65036 5.82264 6.77378 numMergedOcc 0
24 mol 48 unq 8 iso 0 dist 7.51285 4.20245 8.19993 8.92642 9.12073 6.07052 10.9516 11.7978 7.20729 3.3785 numMergedOcc 0
25 mol 48 unq 9 iso 0 dist 7.51285 4.20245 8.19993 8.92642 9.12073 6.07052 8.89604 12.5721 5.72703 5.14028 numMergedOcc 0
26 mol 48 unq 10 iso 0 dist 8.86698 14.2174 8.19993 17.3335 9.12073 6.07052 20.1618 12.5401 7.84895 7.14332 numMergedOcc 0
27 mol 48 unq 11 iso 0 dist 8.86698 14.2174 8.19993 17.3335 9.12073 6.07052 16.5993 9.01489 5.8541 6.15265 numMergedOcc 0
28 mol 48 unq 12 iso 0 dist 8.86698 14.2174 8.19993 17.3335 9.12073 6.07052 10.689 3.65036 5.82264 6.77378 numMergedOcc 0
29 mol 48 unq 13 iso 0 dist 8.86698 14.2174 8.19993 17.3335 9.12073 6.07052 19.3554 11.7978 7.20729 3.3785 numMergedOcc 0
30 mol 48 unq 14 iso 0 dist 8.86698 14.2174 8.19993 17.3335 9.12073 6.07052 19.7528 12.5721 5.72703 5.14028 numMergedOcc 0
31 mol 79 unq 0 iso 0 dist 9.36156 6.01679 5.82754 12.9171 4.08868 8.02443 13.2891 6.01885 9.99805 5.60343 numMergedOcc 0
32 mol 79 unq 1 iso 0 dist 9.36156 6.01679 5.82754 12.9171 4.08868 8.02443 14.6636 9.08423 8.84225 6.49084 numMergedOcc 0
33 mol 79 unq 2 iso 0 dist 9.36156 11.0747 9.05679 12.9171 4.08868 9.09458 16.9749 12.313 8.33791 11.4347 numMergedOcc 0
34 mol 79 unq 3 iso 0 dist 9.36156 11.0747 9.05679 12.9171 4.08868 9.09458 17.8484 12.3366 7.38548 10.0358 numMergedOcc 0
35 mol 79 unq 4 iso 0 dist 9.36156 11.0747 9.05679 12.9171 4.08868 9.09458 13.2891 6.01885 8.2992 5.60343 numMergedOcc 0
36 mol 79 unq 5 iso 0 dist 9.36156 11.0747 9.05679 12.9171 4.08868 9.09458 14.6636 9.08423 6.72546 6.49084 numMergedOcc 0
37 mol 92 unq 0 iso 0 dist 7.39179 13.0644 9.60622 15.3216 11.9597 8.98912 13.4542 7.08542 8.43964 7.35325 numMergedOcc 0
38 mol 131 unq 0 iso 0 dist 8.92828 11.6708 5.87084 13.7499 6.11089 7.75314 13.01 4.60864 7.84546 6.95147 numMergedOcc 0
39 mol 131 unq 1 iso 0 dist 5.44303 5.66194 5.87084 6.78801 6.11089 7.75314 9.58379 4.60864 7.84546 6.95147 numMergedOcc 0
40 mol 141 unq 0 iso 0 dist 4.46777 5.38571 6.83404 6.77921 3.98068 6.65731 10.8548 12.6017 9.38036 14.5559 numMergedOcc 0
41 mol 194 unq 0 iso 0 dist 5.68348 5.92931 6.1886 5.53324 4.002 4.19371 12.7017 13.0087 8.43182 9.23342 numMergedOcc 0
42 mol 194 unq 1 iso 0 dist 5.68348 5.92931 6.1886 11.4466 7.09553 9.71015 12.7017 13.0087 8.43182 11.7699 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 8.28466 12.721 9.8664 18.1946 11.2243 9.9183 18.0406 12.159 9.78273 3.43286 numMergedOcc 0
