0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 5.90976 8.21493 7.12903 6.49982 11.7793 8.28153 4.25929 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 6.864 7.07775 5.5841 9.80108 8.58657 10.0411 14.2009 7.7312 9.61438 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 4.25144 6.39747 7.4785 6.11446 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 4.59417 9.23438 7.17488 4.43437 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 4.67832 9.64665 11.4118 4.59417 9.9105 9.23438 6.1443 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 4.67832 9.64665 9.66798 4.59417 9.9105 7.17488 6.1443 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 4.59417 7.17488 9.23438 4.43437 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 5.87468 12.2384 6.79356 4.43437 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 5.87468 12.2384 6.79356 9.59066 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 4.25144 10.307 7.4785 11.3972 numMergedOcc 0
10 mol 58 unq 8 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 4.25144 10.307 7.4785 6.11446 numMergedOcc 0
11 mol 58 unq 9 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 8.44881 9.79064 8.34191 5.87305 numMergedOcc 0
12 mol 58 unq 10 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 4.25144 10.307 6.39747 11.3972 numMergedOcc 0
13 mol 58 unq 11 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 8.44881 9.79064 8.34191 3.8375 numMergedOcc 0
14 mol 58 unq 12 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 4.25144 10.307 6.39747 6.11446 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.11552 6.77912 11.9814 10.7434 4.86198 6.62699 10.4337 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 9.78528 9.96708 8.24309 11.6894 9.02278 12.0903 10.7434 6.62699 4.86198 7.82564 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 7.41074 8.70133 15.9587 15.1432 21.1182 7.37171 22.2943 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 15.1432 19.3924 7.37171 22.2943 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 11.6116 9.47876 13.6587 8.37717 9.90583 9.01812 16.2403 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 11.6116 7.22293 13.6587 8.37717 15.0494 9.01812 16.2403 numMergedOcc 0
21 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 8.4283 8.66514 10.6733 4.47193 6.65615 5.07548 6.69123 numMergedOcc 0
22 mol 88 unq 1 iso 0 dist 9.36773 8.31336 5.57085 5.37521 9.25235 8.69012 4.47193 6.65615 5.07548 3.77436 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 7.12972 6.85062 6.63273 6.19596 8.6243 6.91348 11.6692 12.9064 8.80895 6.25029 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 6.70283 5.87555 5.42328 8.25411 9.13561 12.4808 4.68615 10.338 6.79114 12.5243 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 6.70283 5.87555 5.42328 8.25411 9.13561 12.4808 4.73288 9.00072 7.59457 11.2183 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 6.70283 8.67331 6.4896 8.25411 9.13561 14.1119 4.73288 9.00072 7.55419 11.2183 numMergedOcc 0
27 mol 152 unq 3 iso 0 dist 7.16148 8.87437 5.42328 7.89109 9.13561 12.4808 9.35878 10.338 6.79114 12.5243 numMergedOcc 0
28 mol 152 unq 4 iso 0 dist 7.16148 8.87437 5.42328 7.89109 9.13561 12.4808 4.70284 9.00072 7.59457 11.2183 numMergedOcc 0
29 mol 152 unq 5 iso 0 dist 7.16148 8.05741 6.4896 7.89109 9.13561 14.1119 4.70284 9.00072 7.55419 11.2183 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 10.1857 8.50864 11.9152 6.19721 7.79063 9.64778 4.40718 numMergedOcc 0
