0 mol 15 unq 0 iso 0 dist 8.38064 8.21493 5.90976 9.03536 9.97507 7.12903 11.7793 6.49982 4.25929 8.28153 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 9.80108 5.5841 7.07775 6.864 8.58657 14.2009 10.0411 9.61438 7.7312 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 11.0466 13.4544 7.58407 14.8085 16.0498 9.59066 6.79356 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.86465 8.63333 6.47744 5.35073 6.35756 8.89374 9.23438 4.59417 4.43437 7.17488 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.86465 8.63333 6.47744 10.8153 10.3224 6.46761 9.23438 4.59417 4.43437 6.79356 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 6.35756 8.89374 6.47744 5.35073 6.86465 8.63333 7.17488 4.59417 4.43437 9.23438 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 6.35756 8.89374 6.47744 8.62958 10.3224 6.46761 7.17488 4.59417 4.43437 6.79356 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 6.64012 6.46761 5.24906 10.8153 13.497 8.63333 6.79356 5.87468 4.43437 9.23438 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 6.64012 6.46761 5.24906 8.62958 12.1902 8.89374 6.79356 5.87468 4.43437 7.17488 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 6.64012 7.58407 5.11205 11.0466 11.396 6.40841 9.9779 5.92761 3.8375 8.34191 numMergedOcc 0
10 mol 58 unq 8 iso 0 dist 6.64012 7.58407 5.11205 11.0466 11.396 6.40841 13.5879 10.3904 6.11446 6.39747 numMergedOcc 0
11 mol 58 unq 9 iso 0 dist 9.4099 9.73139 5.24906 14.5953 13.497 8.63333 12.2384 5.87468 4.43437 9.23438 numMergedOcc 0
12 mol 58 unq 10 iso 0 dist 9.4099 9.73139 5.24906 14.176 12.1902 8.89374 12.2384 5.87468 4.43437 7.17488 numMergedOcc 0
13 mol 58 unq 11 iso 0 dist 9.4099 9.73139 5.24906 6.47414 6.64012 6.46761 12.2384 5.87468 4.43437 6.79356 numMergedOcc 0
14 mol 58 unq 12 iso 0 dist 9.4099 6.31428 5.11205 5.90225 11.396 6.40841 9.79064 5.92761 3.8375 8.34191 numMergedOcc 0
15 mol 58 unq 13 iso 0 dist 9.4099 6.31428 5.11205 5.90225 11.396 6.40841 10.307 10.3904 6.11446 6.39747 numMergedOcc 0
16 mol 58 unq 14 iso 0 dist 9.4099 6.31428 5.11205 6.47414 6.64012 7.58407 12.2384 5.87468 9.59066 6.79356 numMergedOcc 0
17 mol 58 unq 15 iso 0 dist 9.55426 9.73139 13.1021 14.5953 20.7459 8.63333 12.2384 16.0498 4.43437 9.23438 numMergedOcc 0
18 mol 58 unq 16 iso 0 dist 9.55426 9.73139 13.1021 14.176 20.984 8.89374 12.2384 16.0498 4.43437 7.17488 numMergedOcc 0
19 mol 58 unq 17 iso 0 dist 9.55426 9.73139 13.1021 6.47414 13.4544 6.46761 12.2384 16.0498 4.43437 6.79356 numMergedOcc 0
20 mol 58 unq 18 iso 0 dist 9.55426 6.31428 6.75888 5.90225 7.32874 6.40841 9.79064 8.44881 3.8375 8.34191 numMergedOcc 0
21 mol 58 unq 19 iso 0 dist 9.55426 6.31428 6.75888 5.90225 7.32874 6.40841 10.307 4.25144 6.11446 6.39747 numMergedOcc 0
22 mol 58 unq 20 iso 0 dist 9.55426 6.31428 6.75888 6.47414 13.4544 7.58407 12.2384 16.0498 9.59066 6.79356 numMergedOcc 0
23 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 5.36766 12.8385 8.624 4.86198 5.21565 10.4337 8.26541 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 5.36766 10.8086 8.624 4.86198 10.7434 10.4337 8.26541 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 4.98336 13.4572 9.20981 9.56598 12.4093 12.2227 9.63963 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 7.35754 7.52743 4.77056 5.59517 10.1937 8.71128 10.7946 10.5728 5.80637 9.93438 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 11.6667 16.7981 7.39889 10.1864 13.2169 3.71283 4.80684 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 9.87172 7.44174 7.36192 11.3169 14.5183 7.39889 10.3523 10.4816 3.71283 4.80684 numMergedOcc 0
29 mol 127 unq 0 iso 0 dist 8.14887 8.59981 14.9761 5.55757 12.8743 7.66331 5.39356 10.2024 6.92548 5.01504 numMergedOcc 0
30 mol 127 unq 1 iso 0 dist 8.14887 7.34519 7.41404 5.55757 12.8743 8.58999 5.39356 10.2024 5.87751 5.01504 numMergedOcc 0
31 mol 127 unq 2 iso 0 dist 8.14887 7.34519 7.41404 6.16471 11.3474 6.63981 5.39356 10.2024 5.87751 6.80627 numMergedOcc 0
32 mol 127 unq 3 iso 0 dist 9.30299 8.59981 14.085 5.55757 14.7391 7.66331 5.39356 12.7606 6.92548 5.01504 numMergedOcc 0
33 mol 127 unq 4 iso 0 dist 9.30299 7.34519 13.1312 5.55757 14.7391 8.58999 5.39356 12.7606 5.87751 5.01504 numMergedOcc 0
34 mol 127 unq 5 iso 0 dist 9.30299 7.34519 13.1312 6.16471 14.9565 6.63981 5.39356 12.7606 5.87751 6.80627 numMergedOcc 0
35 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 6.83397 13.7544 6.79146 14.8481 18.3526 9.6361 9.81269 numMergedOcc 0
36 mol 131 unq 0 iso 0 dist 7.12972 8.6243 6.19596 6.63273 6.85062 6.91348 12.9064 11.6692 6.25029 8.80895 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 12.5353 15.9169 8.37865 17.2404 21.7259 10.5148 9.18798 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 7.88519 7.48005 11.6195 12.5353 15.9169 8.37865 17.9677 20.8396 11.0001 8.25897 numMergedOcc 0
39 mol 259 unq 2 iso 0 dist 7.84554 7.48005 11.8736 12.5353 18.2309 8.37865 17.2404 22.3496 10.5148 9.18798 numMergedOcc 0
40 mol 259 unq 3 iso 0 dist 7.84554 7.48005 11.8736 12.5353 18.2309 8.37865 17.9677 22.1992 11.0001 8.25897 numMergedOcc 0
41 mol 259 unq 4 iso 0 dist 7.46176 7.48005 5.79468 12.5353 11.858 8.37865 17.2404 15.5567 10.5148 9.18798 numMergedOcc 0
42 mol 259 unq 5 iso 0 dist 7.46176 7.48005 5.79468 12.5353 11.858 8.37865 17.9677 14.7507 11.0001 8.25897 numMergedOcc 0
43 mol 259 unq 6 iso 0 dist 9.18903 7.48005 12.6649 12.5353 20.3294 8.37865 17.2404 22.4337 10.5148 9.18798 numMergedOcc 0
44 mol 259 unq 7 iso 0 dist 9.18903 7.48005 12.6649 12.5353 20.3294 8.37865 17.9677 23.3534 11.0001 8.25897 numMergedOcc 0
