0 mol 11 unq 0 iso 0 dist 5.95165 6.50001 4.10106 3.77561 4.61088 6.54358 4.46394 5.96346 6.859 6.86684 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 12.1061 8.4051 9.84204 5.11617 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 6.53276 8.23446 4.44526 13.1779 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.54519 6.36381 5.50396 13.2653 5.54419 9.33482 6.81998 8.75662 9.586 10.8238 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 12.1061 8.4051 9.84204 13.2229 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 6.53276 8.23446 4.44526 6.38336 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.54519 6.36381 5.50396 5.80023 7.36323 7.27472 6.81998 8.75662 9.586 6.7828 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 11.095 8.60554 13.0764 8.52463 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 4.04757 8.44664 9.98592 10.971 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 6.66757 9.44691 13.2105 13.4893 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 11.095 8.60554 13.0764 12.3994 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 4.04757 8.44664 9.98592 5.30734 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 6.66757 9.44691 13.2105 12.505 numMergedOcc 0
13 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 13.466 7.57578 10.9703 4.32173 6.16347 5.20109 9.34396 numMergedOcc 0
14 mol 25 unq 1 iso 0 dist 8.40051 5.77745 5.63212 13.466 7.57578 10.9703 15.9662 7.92503 13.0308 6.11127 numMergedOcc 0
15 mol 25 unq 2 iso 0 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 4.32173 6.16347 5.20109 10.8498 numMergedOcc 0
16 mol 25 unq 3 iso 0 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 15.9662 7.92503 13.0308 5.30154 numMergedOcc 0
17 mol 25 unq 4 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 4.32173 7.45383 5.20109 7.33728 numMergedOcc 0
18 mol 25 unq 5 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 16.0077 9.01548 12.506 13.9331 numMergedOcc 0
19 mol 25 unq 6 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 10.7087 7.55264 9.35791 6.08585 numMergedOcc 0
20 mol 25 unq 7 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 9.78075 6.85556 16.7474 5.68392 numMergedOcc 0
21 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 6.93876 8.66265 13.2483 3.63144 7.16773 11.1705 6.63327 numMergedOcc 0
22 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 4.37642 5.93884 9.53438 5.78774 numMergedOcc 0
23 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 4.37642 7.68678 9.53438 5.78774 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 4.75138 5.08437 5.10496 7.43001 6.65501 4.62494 4.4057 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.9747 8.3505 3.9764 10.4417 6.48948 5.92242 7.43001 6.65501 4.62494 7.42446 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 5.9747 8.3505 3.9764 11.3628 6.10456 5.2571 7.43001 6.65501 4.62494 9.67482 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 5.9747 7.34638 7.03983 4.75138 5.08437 9.89095 7.43001 6.65501 9.84743 4.4057 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 5.9747 7.34638 7.03983 10.4417 6.48948 7.02507 7.43001 6.65501 9.84743 7.42446 numMergedOcc 0
29 mol 98 unq 5 iso 0 dist 5.9747 7.34638 7.03983 11.3628 6.10456 12.7417 7.43001 6.65501 9.84743 9.67482 numMergedOcc 0
30 mol 98 unq 6 iso 0 dist 4.50572 6.0995 7.03983 6.88489 5.08437 9.89095 9.5305 6.65501 9.84743 4.4057 numMergedOcc 0
31 mol 98 unq 7 iso 0 dist 4.50572 6.0995 7.03983 9.63267 6.48948 7.02507 9.5305 6.65501 9.84743 7.42446 numMergedOcc 0
32 mol 98 unq 8 iso 0 dist 4.50572 6.0995 7.03983 9.82583 6.10456 12.7417 9.5305 6.65501 9.84743 9.67482 numMergedOcc 0
33 mol 98 unq 9 iso 0 dist 4.50572 9.25525 13.1657 6.88489 5.08437 15.844 9.5305 6.65501 17.7829 4.4057 numMergedOcc 0
34 mol 98 unq 10 iso 0 dist 4.50572 9.25525 13.1657 9.63267 6.48948 15.731 9.5305 6.65501 17.7829 7.42446 numMergedOcc 0
35 mol 98 unq 11 iso 0 dist 4.50572 9.25525 13.1657 9.82583 6.10456 18.1227 9.5305 6.65501 17.7829 9.67482 numMergedOcc 0
36 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 11.5656 8.69985 8.52024 4.81814 7.80523 7.56755 7.74599 numMergedOcc 0
37 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 11.5656 8.69985 14.6042 4.81814 7.80523 10.5546 7.74599 numMergedOcc 0
38 mol 119 unq 0 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 6.49348 8.00003 6.18678 10.4376 numMergedOcc 0
39 mol 119 unq 1 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 4.01593 9.11344 12.1689 10.9441 numMergedOcc 0
40 mol 119 unq 2 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 4.01593 6.52773 12.1689 7.20179 numMergedOcc 0
41 mol 119 unq 3 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 13.1254 9.23858 12.2731 9.89358 numMergedOcc 0
42 mol 129 unq 0 iso 0 dist 6.38163 6.53559 6.28232 8.61575 9.61051 11.3039 7.03404 6.28565 10.9495 6.30169 numMergedOcc 0
43 mol 129 unq 1 iso 0 dist 6.38163 6.53559 6.28232 8.61575 9.61051 11.3039 4.92611 7.58957 6.34626 5.68211 numMergedOcc 0
44 mol 129 unq 2 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 7.03404 6.28565 10.9495 4.55551 numMergedOcc 0
45 mol 129 unq 3 iso 0 dist 6.38163 6.53559 6.28232 10.0961 5.83384 11.7541 4.92611 7.58957 6.34626 10.5488 numMergedOcc 0
46 mol 129 unq 4 iso 0 dist 6.38163 7.90844 12.3705 8.61575 9.61051 16.2082 7.03404 6.28565 14.5783 6.30169 numMergedOcc 0
47 mol 129 unq 5 iso 0 dist 6.38163 7.90844 12.3705 8.61575 9.61051 16.2082 4.92611 7.58957 11.4468 5.68211 numMergedOcc 0
48 mol 129 unq 6 iso 0 dist 6.38163 7.90844 12.3705 10.0961 5.83384 17.1791 7.03404 6.28565 14.5783 4.55551 numMergedOcc 0
49 mol 129 unq 7 iso 0 dist 6.38163 7.90844 12.3705 10.0961 5.83384 17.1791 4.92611 7.58957 11.4468 10.5488 numMergedOcc 0
50 mol 131 unq 0 iso 0 dist 6.31125 9.10434 3.98662 5.6098 8.40312 9.27976 11.127 9.90168 10.0568 7.7567 numMergedOcc 0
51 mol 131 unq 1 iso 0 dist 6.31125 9.10434 3.98662 4.29914 7.12972 10.0551 11.127 9.90168 10.0568 8.23791 numMergedOcc 0
52 mol 131 unq 2 iso 0 dist 6.31125 9.10434 3.98662 5.59449 6.85062 10.7579 11.127 9.90168 10.0568 13.7237 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 9.07872 7.90991 13.2135 9.9474 7.09863 16.9681 4.21811 6.02296 10.7057 6.35849 numMergedOcc 0
54 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 4.36131 8.52587 10.0206 5.29529 numMergedOcc 0
