0 mol 15 unq 0 iso 0 dist 9.97507 7.12903 5.90976 8.28153 6.49982 4.25929 9.03536 8.38064 8.21493 11.7793 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 4.51865 8.58657 6.74265 7.7312 4.44441 9.61438 5.80928 8.4674 9.58539 10.1278 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.864 8.58657 5.5841 7.7312 10.0411 9.61438 7.07775 7.20519 9.80108 14.2009 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.864 8.58657 5.5841 7.7312 10.0411 9.61438 5.80928 4.54938 9.58539 10.1278 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 7.49157 8.66248 6.72423 10.0952 8.86116 12.4274 14.9512 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.86014 9.75144 5.39241 7.73794 6.73521 4.0664 10.0952 8.86116 12.4274 12.1131 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 6.20293 9.83618 9.49077 9.02471 14.0654 10.4465 5.06502 5.73819 13.5377 13.9823 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 9.02471 14.0654 10.4465 6.45462 8.93915 13.7177 13.2795 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 8.27463 5.84319 3.82801 8.81358 7.2846 12.1257 12.3849 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.34191 8.44881 3.8375 5.47421 6.81627 10.335 12.1872 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 8.34191 8.44881 3.8375 5.90225 9.55426 6.31428 9.79064 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 7.32874 6.40841 6.75888 6.39747 4.25144 6.11446 5.47421 6.81627 10.335 7.4785 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 7.32874 6.40841 6.75888 6.39747 4.25144 6.11446 5.90225 9.55426 6.31428 10.307 numMergedOcc 0
13 mol 58 unq 4 iso 0 dist 6.86465 8.63333 6.47744 9.23438 4.59417 4.43437 5.30792 6.62496 11.5023 9.9105 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 6.86465 8.63333 6.47744 9.23438 4.59417 4.43437 5.35073 6.35756 8.89374 7.17488 numMergedOcc 0
15 mol 58 unq 6 iso 0 dist 6.35756 8.89374 6.47744 7.17488 4.59417 4.43437 5.35073 6.86465 8.63333 9.23438 numMergedOcc 0
16 mol 58 unq 7 iso 0 dist 6.35756 8.89374 6.47744 7.17488 4.59417 4.43437 4.81926 6.62496 11.5023 9.9105 numMergedOcc 0
17 mol 58 unq 8 iso 0 dist 6.64012 6.46761 5.24906 6.79356 5.87468 4.43437 6.47414 9.4099 9.73139 12.2384 numMergedOcc 0
18 mol 58 unq 9 iso 0 dist 6.64012 7.58407 5.11205 6.79356 5.87468 9.59066 6.47414 9.4099 6.31428 12.2384 numMergedOcc 0
19 mol 58 unq 10 iso 0 dist 9.55426 8.26899 10.3782 9.4278 10.5901 13.4402 10.6169 9.4099 13.7148 16.824 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 4.86198 10.7434 10.4337 8.24309 9.78528 11.9814 6.62699 numMergedOcc 0
21 mol 72 unq 1 iso 0 dist 9.78528 9.02278 11.6894 6.62699 10.7434 7.82564 8.24309 9.96708 12.0903 4.86198 numMergedOcc 0
22 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 9.07128 10.8406 3.99025 5.57085 8.31336 10.6733 10.3871 numMergedOcc 0
23 mol 88 unq 1 iso 0 dist 9.36773 8.66514 8.4283 6.65615 4.47193 6.69123 5.57085 8.31336 10.6733 5.07548 numMergedOcc 0
24 mol 88 unq 2 iso 0 dist 9.36773 9.25235 5.37521 9.07128 10.8406 6.08504 5.57085 8.31336 8.69012 10.3871 numMergedOcc 0
25 mol 88 unq 3 iso 0 dist 9.36773 9.25235 5.37521 6.65615 4.47193 3.77436 5.57085 8.31336 8.69012 5.07548 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 8.80895 11.6692 6.25029 10.7062 8.40312 12.5969 17.775 numMergedOcc 0
27 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 8.80895 11.6692 6.25029 6.63273 7.12972 8.6243 12.9064 numMergedOcc 0
28 mol 131 unq 2 iso 0 dist 6.85062 9.51418 6.6499 8.80895 11.6692 13.4297 10.7062 8.40312 13.6559 17.775 numMergedOcc 0
29 mol 131 unq 3 iso 0 dist 6.85062 9.51418 6.6499 8.80895 11.6692 13.4297 6.63273 7.12972 12.9472 12.9064 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 6.70283 9.13561 8.25411 9.00072 4.73288 11.2183 5.42328 5.87555 12.4808 7.59457 numMergedOcc 0
31 mol 152 unq 1 iso 0 dist 6.70283 9.13561 8.25411 9.00072 4.73288 11.2183 6.4896 8.67331 14.1119 7.55419 numMergedOcc 0
32 mol 152 unq 2 iso 0 dist 7.16148 9.13561 7.89109 9.00072 4.70284 11.2183 5.42328 8.87437 12.4808 7.59457 numMergedOcc 0
33 mol 152 unq 3 iso 0 dist 7.16148 9.13561 7.89109 9.00072 4.70284 11.2183 6.4896 8.05741 14.1119 7.55419 numMergedOcc 0
34 mol 248 unq 0 iso 0 dist 7.69895 8.50864 10.1857 7.79063 6.19721 4.40718 5.55137 7.21521 11.9152 9.64778 numMergedOcc 0
35 mol 248 unq 1 iso 0 dist 7.69895 8.50864 10.1857 7.79063 6.19721 4.40718 10.8081 8.2965 14.4409 11.1716 numMergedOcc 0
