0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99972 12.0193 7.25346 12.2041 10.5461 5.72491 11.2662 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 5.72491 5.44992 8.72114 13.8829 10.1959 12.2041 12.2333 7.88043 10.3148 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 8.53529 4.36226 5.65816 12.4076 10.9634 6.82379 7.03958 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.96553 7.3915 7.43529 8.53529 4.36226 5.65816 9.22548 12.9396 6.24978 9.77703 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 8.96553 7.3915 7.43529 8.53529 4.36226 5.65816 7.96511 14.7769 9.66439 12.013 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 7.75618 4.96411 13.9675 10.8007 15.679 7.48847 15.4288 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 7.20519 6.92532 12.3486 7.75618 4.96411 13.9675 5.03957 12.1187 6.36455 12.3215 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 4.54938 6.92532 5.18512 7.75618 9.74255 13.9675 10.8007 9.78944 7.48847 15.4288 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 4.54938 6.92532 5.18512 7.75618 9.74255 13.9675 5.03957 7.82074 6.36455 12.3215 numMergedOcc 0
9 mol 19 unq 4 iso 0 dist 6.864 6.92532 9.47529 7.75618 7.08342 13.9675 10.8007 9.56313 7.48847 15.4288 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 6.864 6.92532 9.47529 7.75618 7.08342 13.9675 5.03957 11.0366 6.36455 12.3215 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 9.41441 6.66749 11.9395 7.05502 11.573 7.83786 16.0926 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 9.41441 14.012 11.9395 7.05502 10.5273 7.83786 16.0926 numMergedOcc 0
13 mol 24 unq 2 iso 0 dist 5.54419 4.93188 4.33963 8.70827 5.59311 9.75636 12.3067 7.36323 9.24958 9.12854 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 5.54419 4.93188 4.33963 6.73939 12.176 10.0715 12.3067 7.36323 9.24958 18.673 numMergedOcc 0
15 mol 24 unq 4 iso 0 dist 7.36323 9.24958 4.33963 9.12854 5.59311 9.75636 12.3067 5.54419 4.93188 8.70827 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 7.57578 6.90155 9.36158 6.16347 9.34396 11.0508 10.6808 13.7311 5.81959 16.0183 numMergedOcc 0
17 mol 25 unq 1 iso 0 dist 7.57578 6.90155 9.36158 7.92503 6.11127 6.61233 10.6808 13.7311 5.81959 8.6653 numMergedOcc 0
18 mol 25 unq 2 iso 0 dist 7.17969 6.90155 10.1525 6.16347 10.8498 11.0508 10.6808 12.9968 5.81959 16.0183 numMergedOcc 0
19 mol 25 unq 3 iso 0 dist 7.17969 6.90155 10.1525 7.92503 5.30154 6.61233 10.6808 12.9968 5.81959 8.6653 numMergedOcc 0
20 mol 25 unq 4 iso 0 dist 7.31767 5.81959 7.63409 8.6653 5.64303 6.61233 10.6808 12.4135 6.90155 7.92503 numMergedOcc 0
21 mol 25 unq 5 iso 0 dist 6.03987 5.81959 8.4666 8.6653 5.82503 6.61233 10.6808 11.6743 6.90155 7.92503 numMergedOcc 0
22 mol 60 unq 0 iso 0 dist 8.7531 7.55695 9.62257 9.90939 7.04075 4.82351 7.29309 8.33063 9.96399 10.5084 numMergedOcc 0
23 mol 60 unq 1 iso 0 dist 8.7531 7.55695 9.62257 9.90939 7.04075 4.82351 5.00018 11.5843 8.82176 11.6165 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 7.80523 7.74599 10.8469 4.98336 13.4572 7.55384 12.2341 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 6.52773 7.20179 6.96805 4.85907 10.3704 7.99857 9.11344 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 9.23858 9.89358 13.3975 4.85907 10.3704 7.99857 12.7677 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 9.87172 7.99857 7.61939 9.11344 10.9441 6.96805 4.85907 12.6489 8.56342 6.52773 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 13.2572 14.2958 9.15431 15.7676 numMergedOcc 0
29 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 6.63273 7.12972 6.92648 12.6227 numMergedOcc 0
30 mol 131 unq 2 iso 0 dist 6.85062 9.29384 9.32969 9.25558 5.09131 11.2516 13.2572 14.2958 9.15431 18.3571 numMergedOcc 0
31 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 9.25558 5.09131 11.2516 6.63273 7.12972 6.92648 11.586 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 8.90963 8.91338 13.0913 10.1912 15.0228 7.20392 18.0578 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 8.90963 9.81073 13.0913 10.1912 9.09537 7.20392 18.0578 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 9.15386 6.51749 7.64267 8.90963 9.34211 13.0913 10.1912 12.9862 7.20392 18.0578 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 8.73217 11.7429 11.8992 5.74635 8.87694 6.85302 14.2425 numMergedOcc 0
36 mol 205 unq 0 iso 0 dist 7.26832 5.60393 5.28092 5.44002 10.3603 8.46033 7.38516 6.03031 8.44861 12.3113 numMergedOcc 0
37 mol 234 unq 0 iso 0 dist 8.34494 8.24186 11.7705 9.81425 4.3717 9.68666 8.59858 14.186 7.56091 13.5134 numMergedOcc 0
38 mol 234 unq 1 iso 0 dist 8.34494 8.24186 11.7705 9.81425 4.3717 9.68666 5.88703 12.9605 7.5366 13.293 numMergedOcc 0
39 mol 234 unq 2 iso 0 dist 6.56247 8.24186 5.63086 9.81425 4.46561 9.68666 8.59858 9.45579 7.56091 13.5134 numMergedOcc 0
40 mol 234 unq 3 iso 0 dist 6.56247 8.24186 5.63086 9.81425 4.46561 9.68666 5.88703 9.45496 7.5366 13.293 numMergedOcc 0
41 mol 234 unq 4 iso 0 dist 9.36357 8.24186 5.6819 9.81425 10.641 9.68666 8.59858 12.4862 7.56091 13.5134 numMergedOcc 0
42 mol 234 unq 5 iso 0 dist 9.36357 8.24186 5.6819 9.81425 10.641 9.68666 5.88703 6.7625 7.5366 13.293 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 9.24557 14.7883 4.77308 10.0191 13.5431 6.66971 7.57812 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 5.72887 7.32982 12.3808 9.24557 14.7883 4.77308 10.1648 12.8711 6.4398 10.1217 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 6.97229 8.15467 11.6066 7.6595 6.7919 6.05037 4.26007 10.9661 9.1925 10.8994 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 6.60405 6.70815 7.42673 7.21311 5.63675 8.10604 7.26417 6.42289 7.99477 11.2102 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 7.08526 8.81835 6.31909 9.98105 12.0576 8.59697 10.4552 numMergedOcc 0
