0 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 4.70708 9.43699 8.53931 5.77929 8.87757 6.53269 6.06874 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 5.04899 9.49421 13.6145 4.70708 9.43699 8.53931 6.68639 9.61019 9.81524 5.16935 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.57578 9.48085 5.18617 12.1492 12.8446 8.53931 6.08585 8.50222 6.53269 6.06874 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 7.57578 9.48085 5.18617 12.1492 12.8446 8.53931 9.15781 12.4659 9.81524 5.16935 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 7.17969 9.48085 5.68041 12.1492 11.7303 8.53931 6.08585 7.55264 6.53269 6.06874 numMergedOcc 0
5 mol 25 unq 5 iso 0 dist 7.17969 9.48085 5.68041 12.1492 11.7303 8.53931 9.15781 10.3593 9.81524 5.16935 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 5.98837 8.26899 7.03126 9.37804 14.2075 9.02642 11.6859 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 6.81627 5.38524 5.61579 8.48255 10.947 9.68228 9.37804 14.2075 9.02642 10.8453 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 7.32874 8.69057 5.61579 4.55117 8.26899 7.03126 14.0374 14.2075 9.02642 11.6859 numMergedOcc 0
9 mol 58 unq 3 iso 0 dist 7.32874 8.69057 5.61579 13.3401 10.947 9.68228 14.0374 14.2075 9.02642 10.8453 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.96708 9.55118 5.69391 7.11552 6.77912 5.4605 11.6378 9.27838 7.58875 4.67641 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.96708 9.55118 5.69391 12.3903 10.4226 6.1906 11.6378 9.27838 7.58875 4.5168 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 9.96708 9.55118 5.69391 7.17489 10.4676 6.7272 11.6378 9.27838 7.58875 7.04549 numMergedOcc 0
13 mol 72 unq 3 iso 0 dist 9.78528 9.55118 9.78221 7.11552 11.9814 5.4605 11.6378 16.0048 7.58875 4.67641 numMergedOcc 0
14 mol 72 unq 4 iso 0 dist 9.78528 9.55118 9.78221 12.3903 15.7961 6.1906 11.6378 16.0048 7.58875 4.5168 numMergedOcc 0
15 mol 72 unq 5 iso 0 dist 9.78528 9.55118 9.78221 7.17489 13.3943 6.7272 11.6378 16.0048 7.58875 7.04549 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.33898 7.06939 4.3481 6.61299 11.9364 9.39807 9.44576 9.75237 6.87506 6.23341 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 8.70415 10.417 6.61111 7.94178 11.3043 9.84703 10.2677 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 8.70415 10.417 6.61111 4.4057 6.65501 4.62494 5.71029 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 9.74284 10.417 6.61111 15.7178 11.3043 9.84703 10.2677 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 9.74284 10.417 6.61111 7.42446 6.65501 4.62494 5.71029 numMergedOcc 0
21 mol 98 unq 4 iso 0 dist 6.10456 7.54889 10.4782 10.0962 10.417 4.44979 9.85543 11.3043 9.25444 10.2677 numMergedOcc 0
22 mol 98 unq 5 iso 0 dist 6.10456 7.54889 10.4782 10.0962 10.417 4.44979 9.67482 6.65501 8.46823 5.71029 numMergedOcc 0
23 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 10.0962 10.417 6.61111 9.85543 11.3043 9.84703 10.2677 numMergedOcc 0
24 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 10.0962 10.417 6.61111 9.67482 6.65501 4.62494 5.71029 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 10.0197 14.0269 6.13374 12.0175 17.8739 8.67537 7.39626 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 8.73993 7.64052 9.68677 10.6679 9.63176 9.08536 12.0175 17.8739 8.67537 15.4934 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 9.87172 6.99446 6.20019 6.35763 6.19042 6.13374 10.8661 11.5311 8.67537 7.39626 numMergedOcc 0
28 mol 119 unq 3 iso 0 dist 9.87172 6.99446 6.20019 7.36192 7.44174 9.08536 10.8661 11.5311 8.67537 15.4934 numMergedOcc 0
29 mol 119 unq 4 iso 0 dist 6.18601 8.95212 4.39676 10.3457 8.43904 6.13374 5.13589 6.73586 8.67537 7.39626 numMergedOcc 0
30 mol 119 unq 5 iso 0 dist 6.18601 8.95212 4.39676 16.7975 13.4411 9.08536 5.13589 6.73586 8.67537 15.4934 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 6.29155 8.77023 13.0405 9.53782 11.3058 8.55349 4.54648 6.16242 8.83732 11.5342 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 6.80239 8.77023 13.7612 9.53782 16.0613 8.55349 4.54648 5.87634 8.83732 11.5342 numMergedOcc 0
33 mol 133 unq 2 iso 0 dist 8.00618 8.77023 15.0115 9.53782 16.3407 8.55349 4.54648 10.9061 8.83732 11.5342 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 7.46303 8.97626 9.16779 12.8482 15.9495 7.29911 5.50031 12.2416 9.16358 9.50478 numMergedOcc 0
35 mol 155 unq 1 iso 0 dist 7.46303 8.97626 9.16779 12.8482 15.9495 7.29911 6.89781 10.9606 9.24038 12.0574 numMergedOcc 0
36 mol 155 unq 2 iso 0 dist 7.46303 8.97626 9.16779 8.27726 12.1081 5.36254 5.50031 12.2416 9.16358 5.50045 numMergedOcc 0
37 mol 155 unq 3 iso 0 dist 7.46303 8.97626 9.16779 8.27726 12.1081 5.36254 6.89781 10.9606 9.24038 6.40403 numMergedOcc 0
38 mol 155 unq 4 iso 0 dist 6.43582 8.97626 4.91785 12.8482 9.38946 7.29911 5.50031 7.92304 9.16358 9.50478 numMergedOcc 0
39 mol 155 unq 5 iso 0 dist 6.43582 8.97626 4.91785 12.8482 9.38946 7.29911 6.89781 10.3161 9.24038 12.0574 numMergedOcc 0
40 mol 155 unq 6 iso 0 dist 6.43582 8.97626 4.91785 8.27726 7.36102 5.36254 5.50031 7.92304 9.16358 5.50045 numMergedOcc 0
41 mol 155 unq 7 iso 0 dist 6.43582 8.97626 4.91785 8.27726 7.36102 5.36254 6.89781 10.3161 9.24038 6.40403 numMergedOcc 0
42 mol 167 unq 0 iso 0 dist 9.87651 7.02548 11.6011 6.36909 15.1367 7.30954 7.08726 16.4813 8.86449 6.09121 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 7.81386 6.64173 6.8757 6.7991 4.93785 9.09234 5.63555 10.4943 8.12266 11.5017 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 7.81386 9.01624 5.71898 6.7991 4.93785 6.76746 7.20191 9.39829 5.99437 7.30555 numMergedOcc 0
45 mol 181 unq 2 iso 0 dist 7.81386 9.55105 5.83796 6.7991 4.93785 8.92098 5.63555 10.4943 9.43306 11.5017 numMergedOcc 0
46 mol 181 unq 3 iso 0 dist 7.81386 9.55105 5.83796 6.7991 4.93785 8.92098 7.20191 9.39829 8.4848 7.30555 numMergedOcc 0
47 mol 181 unq 4 iso 0 dist 7.63312 6.64173 10.6474 6.7991 10.1232 9.09234 5.63555 5.9176 8.12266 11.5017 numMergedOcc 0
48 mol 181 unq 5 iso 0 dist 7.63312 9.01624 5.93724 6.7991 10.1232 6.76746 7.20191 6.41453 5.99437 7.30555 numMergedOcc 0
49 mol 181 unq 6 iso 0 dist 7.63312 9.55105 5.12833 6.7991 10.1232 8.92098 5.63555 5.9176 9.43306 11.5017 numMergedOcc 0
50 mol 181 unq 7 iso 0 dist 7.63312 9.55105 5.12833 6.7991 10.1232 8.92098 7.20191 6.41453 8.4848 7.30555 numMergedOcc 0
51 mol 224 unq 0 iso 0 dist 6.61986 8.08349 5.13732 10.7113 8.19953 5.73591 10.7174 10.0553 5.05368 6.957 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 6.61986 8.08349 5.13732 11.4491 11.5717 8.55345 10.7174 10.0553 5.05368 7.16077 numMergedOcc 0
53 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 5.56749 15.004 9.11572 10.0059 17.6227 7.77911 7.17691 numMergedOcc 0
54 mol 234 unq 1 iso 0 dist 9.45496 7.81215 12.4252 15.015 21.615 9.49229 10.0059 17.6227 7.77911 6.51967 numMergedOcc 0
55 mol 234 unq 2 iso 0 dist 9.45496 7.81215 12.4252 12.1076 17.6567 7.20293 10.0059 17.6227 7.77911 4.51304 numMergedOcc 0
56 mol 234 unq 3 iso 0 dist 6.7625 7.81215 5.75498 5.56749 10.8628 9.11572 10.0059 12.6238 7.77911 7.17691 numMergedOcc 0
57 mol 234 unq 4 iso 0 dist 6.7625 7.81215 5.75498 15.015 15.1691 9.49229 10.0059 12.6238 7.77911 6.51967 numMergedOcc 0
58 mol 234 unq 5 iso 0 dist 6.7625 7.81215 5.75498 12.1076 12.6312 7.20293 10.0059 12.6238 7.77911 4.51304 numMergedOcc 0
