0 mol 24 unq 0 iso 0 dist 6.72502 8.60554 6.99746 8.44664 7.6844 14.1496 5.11636 8.24948 5.80953 12.8213 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.72502 8.44664 7.6844 8.60554 6.99746 14.1496 5.11636 8.24948 12.8213 5.80953 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 9.44691 7.05541 9.62033 5.11636 8.24948 5.80953 11.7489 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.72502 9.44691 7.05541 8.60554 6.99746 9.62033 5.11636 8.24948 11.7489 5.80953 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.72502 8.44664 7.6844 9.44691 7.05541 10.4263 5.11636 8.24948 12.8213 11.7489 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.72502 9.44691 7.05541 8.44664 7.6844 10.4263 5.11636 8.24948 11.7489 12.8213 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.61823 8.91313 14.4996 8.16392 6.90324 11.5449 5.31547 6.98037 12.273 10.9647 numMergedOcc 0
7 mol 92 unq 0 iso 1 dist 6.61823 8.16392 6.90324 8.91313 14.4996 11.5449 5.31547 6.98037 10.9647 12.273 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 6.61823 8.91313 14.4996 8.16392 6.90324 11.5449 4.3481 6.9223 12.7637 11.1106 numMergedOcc 0
9 mol 92 unq 1 iso 1 dist 6.61823 8.16392 6.90324 8.91313 14.4996 11.5449 4.3481 6.9223 11.1106 12.7637 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 6.49956 8.91313 12.0757 8.16392 7.64508 11.5449 4.3481 7.0561 12.7637 11.1106 numMergedOcc 0
11 mol 92 unq 2 iso 1 dist 6.49956 8.16392 7.64508 8.91313 12.0757 11.5449 4.3481 7.0561 11.1106 12.7637 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 9.25558 11.2516 14.5627 12.6005 6.78801 12.7349 17.5196 numMergedOcc 0
13 mol 131 unq 0 iso 1 dist 9.29384 9.25558 11.2516 8.70296 10.8127 14.5627 12.6005 6.78801 17.5196 12.7349 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.25673 7.78652 6.60479 8.91301 7.54337 4.30566 4.78563 8.612 5.06564 7.5373 numMergedOcc 0
15 mol 143 unq 0 iso 1 dist 7.25673 8.91301 7.54337 7.78652 6.60479 4.30566 4.78563 8.612 7.5373 5.06564 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 7.25742 9.17787 10.3427 8.4858 7.97232 7.73341 4.48323 6.07821 12.5346 9.35202 numMergedOcc 0
17 mol 159 unq 0 iso 1 dist 7.25742 8.4858 7.97232 9.17787 10.3427 7.73341 4.48323 6.07821 9.35202 12.5346 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 8.15099 6.35982 7.29587 7.51126 8.73585 6.24983 4.78249 5.13268 6.47164 9.65126 numMergedOcc 0
19 mol 170 unq 0 iso 1 dist 8.15099 7.51126 8.73585 6.35982 7.29587 6.24983 4.78249 5.13268 9.65126 6.47164 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.1344 5.90358 3.98338 11.8244 9.13027 9.19622 11.6352 numMergedOcc 0
21 mol 171 unq 0 iso 1 dist 7.71426 8.1344 5.90358 5.93786 6.29877 3.98338 11.8244 9.13027 11.6352 9.19622 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 5.10618 8.24693 6.29877 6.71356 5.90358 3.98338 13.9189 9.13027 9.19622 11.6352 numMergedOcc 0
23 mol 171 unq 1 iso 1 dist 5.10618 6.71356 5.90358 8.24693 6.29877 3.98338 13.9189 9.13027 11.6352 9.19622 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 8.10214 5.87427 9.01338 9.71636 7.79115 8.66624 11.506 numMergedOcc 0
25 mol 188 unq 0 iso 1 dist 8.57261 8.10214 5.87427 7.14503 5.0782 9.01338 9.71636 7.79115 11.506 8.66624 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 8.83356 8.29382 12.361 6.72379 7.50057 6.7294 10.463 5.53324 15.7666 9.64441 numMergedOcc 0
27 mol 194 unq 0 iso 1 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 10.463 5.53324 9.64441 15.7666 numMergedOcc 0
28 mol 194 unq 1 iso 0 dist 8.83356 8.29382 12.361 6.72379 7.50057 6.7294 4.66791 6.72182 11.2491 9.00322 numMergedOcc 0
29 mol 194 unq 1 iso 1 dist 8.83356 6.72379 7.50057 8.29382 12.361 6.7294 4.66791 6.72182 9.00322 11.2491 numMergedOcc 0
30 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 6.95086 6.74112 9.90317 5.41635 6.34234 6.22742 10.8593 numMergedOcc 0
31 mol 195 unq 0 iso 1 dist 6.60567 6.95086 6.74112 7.36683 6.0634 9.90317 5.41635 6.34234 10.8593 6.22742 numMergedOcc 0
32 mol 195 unq 1 iso 0 dist 6.60567 7.36683 6.0634 6.95086 6.74112 9.90317 11.9954 7.87972 13.3723 11.9372 numMergedOcc 0
33 mol 195 unq 1 iso 1 dist 6.60567 6.95086 6.74112 7.36683 6.0634 9.90317 11.9954 7.87972 11.9372 13.3723 numMergedOcc 0
34 mol 212 unq 0 iso 0 dist 6.29767 9.74144 9.75095 8.69988 12.8059 12.5482 3.9436 5.50658 12.0526 9.10288 numMergedOcc 0
35 mol 212 unq 0 iso 1 dist 6.29767 8.69988 12.8059 9.74144 9.75095 12.5482 3.9436 5.50658 9.10288 12.0526 numMergedOcc 0
36 mol 212 unq 1 iso 0 dist 6.29767 9.74144 9.75095 8.55903 10.7914 15.0034 3.9436 5.50658 12.0526 6.19798 numMergedOcc 0
37 mol 212 unq 1 iso 1 dist 6.29767 8.55903 10.7914 9.74144 9.75095 15.0034 3.9436 5.50658 6.19798 12.0526 numMergedOcc 0
38 mol 212 unq 2 iso 0 dist 6.29767 9.74144 9.75095 7.15603 9.63281 5.24023 3.9436 5.50658 12.0526 9.32123 numMergedOcc 0
39 mol 212 unq 2 iso 1 dist 6.29767 7.15603 9.63281 9.74144 9.75095 5.24023 3.9436 5.50658 9.32123 12.0526 numMergedOcc 0
40 mol 212 unq 1 iso 0 dist 6.29767 8.69988 12.8059 8.55903 10.7914 6.18191 3.9436 5.50658 9.10288 6.19798 numMergedOcc 0
41 mol 212 unq 1 iso 1 dist 6.29767 8.55903 10.7914 8.69988 12.8059 6.18191 3.9436 5.50658 6.19798 9.10288 numMergedOcc 0
42 mol 212 unq 2 iso 0 dist 6.29767 8.69988 12.8059 7.15603 9.63281 7.34372 3.9436 5.50658 9.10288 9.32123 numMergedOcc 0
43 mol 212 unq 2 iso 1 dist 6.29767 7.15603 9.63281 8.69988 12.8059 7.34372 3.9436 5.50658 9.32123 9.10288 numMergedOcc 0
44 mol 212 unq 2 iso 0 dist 6.29767 8.55903 10.7914 7.15603 9.63281 10.7093 3.9436 5.50658 6.19798 9.32123 numMergedOcc 0
45 mol 212 unq 2 iso 1 dist 6.29767 7.15603 9.63281 8.55903 10.7914 10.7093 3.9436 5.50658 9.32123 6.19798 numMergedOcc 0
46 mol 212 unq 3 iso 0 dist 8.74585 9.74144 15.1535 8.69988 4.21442 12.5482 3.9436 9.22129 12.0526 9.10288 numMergedOcc 0
47 mol 212 unq 3 iso 1 dist 8.74585 8.69988 4.21442 9.74144 15.1535 12.5482 3.9436 9.22129 9.10288 12.0526 numMergedOcc 0
48 mol 212 unq 4 iso 0 dist 8.74585 9.74144 15.1535 8.55903 6.69225 15.0034 3.9436 9.22129 12.0526 6.19798 numMergedOcc 0
49 mol 212 unq 4 iso 1 dist 8.74585 8.55903 6.69225 9.74144 15.1535 15.0034 3.9436 9.22129 6.19798 12.0526 numMergedOcc 0
50 mol 212 unq 5 iso 0 dist 8.74585 9.74144 15.1535 7.15603 10.1399 5.24023 3.9436 9.22129 12.0526 9.32123 numMergedOcc 0
51 mol 212 unq 5 iso 1 dist 8.74585 7.15603 10.1399 9.74144 15.1535 5.24023 3.9436 9.22129 9.32123 12.0526 numMergedOcc 0
52 mol 212 unq 4 iso 0 dist 8.74585 8.69988 4.21442 8.55903 6.69225 6.18191 3.9436 9.22129 9.10288 6.19798 numMergedOcc 0
53 mol 212 unq 4 iso 1 dist 8.74585 8.55903 6.69225 8.69988 4.21442 6.18191 3.9436 9.22129 6.19798 9.10288 numMergedOcc 0
54 mol 212 unq 5 iso 0 dist 8.74585 8.69988 4.21442 7.15603 10.1399 7.34372 3.9436 9.22129 9.10288 9.32123 numMergedOcc 0
55 mol 212 unq 5 iso 1 dist 8.74585 7.15603 10.1399 8.69988 4.21442 7.34372 3.9436 9.22129 9.32123 9.10288 numMergedOcc 0
56 mol 212 unq 5 iso 0 dist 8.74585 8.55903 6.69225 7.15603 10.1399 10.7093 3.9436 9.22129 6.19798 9.32123 numMergedOcc 0
57 mol 212 unq 5 iso 1 dist 8.74585 7.15603 10.1399 8.55903 6.69225 10.7093 3.9436 9.22129 9.32123 6.19798 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 5.41321 4.59123 11.362 5.0317 9.43618 9.18728 8.91971 numMergedOcc 0
59 mol 227 unq 0 iso 1 dist 8.03442 5.41321 4.59123 7.43071 12.8075 11.362 5.0317 9.43618 8.91971 9.18728 numMergedOcc 0
