0 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 12.4076 17.5554 6.82379 12.8924 15.562 8.94096 13.7792 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.33604 7.3915 11.705 12.4076 17.5554 6.82379 4.85329 6.26865 9.07858 15.4959 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.33604 7.3915 11.705 9.22548 16.3913 6.24978 12.8924 15.562 8.94096 10.6893 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.33604 7.3915 11.705 9.22548 16.3913 6.24978 4.85329 6.26865 9.07858 12.0818 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 8.33604 7.3915 11.705 7.96511 16.2553 9.66439 12.8924 15.562 8.94096 13.8882 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 8.33604 7.3915 11.705 7.96511 16.2553 9.66439 4.85329 6.26865 9.07858 11.4738 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 9.78225 10.9838 8.6385 9.87119 11.0822 7.61055 4.74747 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.6243 6.92648 6.01893 7.58238 14.1661 9.15431 4.89973 11.3311 9.39683 7.71288 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 8.6243 6.92648 6.01893 6.63273 6.91348 9.29384 4.89973 11.3311 9.39683 7.00551 numMergedOcc 0
9 mol 131 unq 2 iso 0 dist 6.91348 9.29384 6.01893 13.2572 14.1661 9.15431 7.00551 11.3311 9.39683 7.71288 numMergedOcc 0
10 mol 131 unq 3 iso 0 dist 6.91348 9.29384 6.01893 6.63273 8.6243 6.92648 7.00551 11.3311 9.39683 4.89973 numMergedOcc 0
11 mol 131 unq 4 iso 0 dist 9.51418 9.29384 15.1974 13.2572 20.4785 9.15431 7.00551 15.5838 9.39683 7.71288 numMergedOcc 0
12 mol 131 unq 5 iso 0 dist 9.51418 9.29384 15.1974 6.63273 12.9472 6.92648 7.00551 15.5838 9.39683 4.89973 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.94688 6.51749 10.4684 10.1912 14.4632 7.20392 5.4601 10.5561 7.345 6.14208 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.94688 6.51749 10.4684 10.1912 14.4632 7.20392 10.0524 11.7007 9.52987 5.95965 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 6.71012 6.51749 12.69 10.1912 15.4777 7.20392 5.4601 9.94131 7.345 6.14208 numMergedOcc 0
16 mol 181 unq 3 iso 0 dist 6.71012 6.51749 12.69 10.1912 15.4777 7.20392 10.0524 12.8673 9.52987 5.95965 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 8.0179 11.6993 8.12346 15.9311 15.1721 9.77862 13.7758 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 14.6506 11.9484 8.83356 15.9311 15.1721 9.77862 5.38925 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 15.9311 15.1721 9.77862 14.2415 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 5.48258 8.83356 7.69247 14.6506 12.1599 6.26839 5.38925 10.055 9.77862 15.9311 numMergedOcc 0
21 mol 194 unq 4 iso 0 dist 5.48258 8.83356 7.69247 13.5632 13.8412 8.12346 5.38925 10.055 9.77862 13.7758 numMergedOcc 0
22 mol 194 unq 5 iso 0 dist 5.48258 8.83356 7.69247 11.6097 10.3975 8.2654 5.38925 10.055 9.77862 14.2415 numMergedOcc 0
23 mol 194 unq 6 iso 0 dist 6.15769 8.83356 13.9521 14.6506 18.923 6.26839 5.38925 10.8707 9.77862 15.9311 numMergedOcc 0
24 mol 194 unq 7 iso 0 dist 6.15769 8.83356 13.9521 13.5632 18.1875 8.12346 5.38925 10.8707 9.77862 13.7758 numMergedOcc 0
25 mol 194 unq 8 iso 0 dist 6.15769 8.83356 13.9521 11.6097 14.4527 8.2654 5.38925 10.8707 9.77862 14.2415 numMergedOcc 0
26 mol 194 unq 9 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 14.2415 15.1721 9.77862 15.9311 numMergedOcc 0
27 mol 194 unq 10 iso 0 dist 8.38695 8.2654 6.8278 6.26298 11.6993 8.12346 14.2415 15.1721 9.77862 13.7758 numMergedOcc 0
28 mol 194 unq 11 iso 0 dist 8.38695 8.2654 6.8278 11.6097 11.9484 8.83356 14.2415 15.1721 9.77862 5.38925 numMergedOcc 0
29 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 10.7531 9.36654 6.60567 6.08211 14.218 9.79691 13.6975 numMergedOcc 0
30 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 10.7531 11.955 6.60567 6.08211 11.867 9.79691 13.6975 numMergedOcc 0
31 mol 204 unq 0 iso 0 dist 9.59333 8.0144 10.3763 11.117 17.5429 7.80841 14.8202 18.4769 8.50907 7.0418 numMergedOcc 0
32 mol 218 unq 0 iso 0 dist 8.53199 5.76954 8.21424 4.72474 12.0819 6.29367 9.68444 14.1171 6.86795 6.05563 numMergedOcc 0
33 mol 218 unq 1 iso 0 dist 8.53199 5.76954 8.21424 4.72474 12.0819 6.29367 7.47048 6.75035 6.61099 8.36122 numMergedOcc 0
34 mol 218 unq 2 iso 0 dist 8.53199 5.76954 8.21424 5.61978 13.6555 9.20961 9.68444 14.1171 6.86795 11.4148 numMergedOcc 0
35 mol 218 unq 3 iso 0 dist 8.53199 5.76954 8.21424 5.61978 13.6555 9.20961 7.47048 6.75035 6.61099 12.7963 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 5.22356 13.4493 8.38865 5.34702 11.6647 9.20589 9.60993 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 9.62609 5.4694 5.23507 5.22356 13.4493 8.38865 8.8709 6.152 7.89801 13.3557 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 8.17891 8.38865 5.92529 5.22356 6.95902 5.4694 9.60993 11.6882 9.20589 5.34702 numMergedOcc 0
39 mol 227 unq 3 iso 0 dist 8.17891 8.38865 5.92529 5.22356 6.95902 5.4694 13.3557 7.95168 7.89801 8.8709 numMergedOcc 0
40 mol 227 unq 4 iso 0 dist 6.95902 5.4694 5.92529 5.22356 8.17891 8.38865 5.34702 11.6882 9.20589 9.60993 numMergedOcc 0
41 mol 227 unq 5 iso 0 dist 6.95902 5.4694 5.92529 5.22356 8.17891 8.38865 8.8709 7.95168 7.89801 13.3557 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 5.40359 12.5477 6.66971 15.3074 12.4232 9.42618 13.0842 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 9.68513 6.4398 6.48619 10.1648 9.29858 7.32982 15.3074 12.4232 9.42618 8.85181 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 9.29858 7.32982 6.48619 10.0191 12.5477 6.66971 8.85181 12.4232 9.42618 13.0842 numMergedOcc 0
45 mol 238 unq 3 iso 0 dist 9.29858 7.32982 6.48619 10.1648 9.68513 6.4398 8.85181 12.4232 9.42618 15.3074 numMergedOcc 0
46 mol 238 unq 4 iso 0 dist 9.90142 6.66971 5.8333 5.40359 5.9216 6.4398 13.0842 14.6581 9.42618 15.3074 numMergedOcc 0
47 mol 238 unq 5 iso 0 dist 9.90142 6.66971 5.8333 10.0191 10.7386 7.32982 13.0842 14.6581 9.42618 8.85181 numMergedOcc 0
48 mol 238 unq 6 iso 0 dist 5.9216 6.4398 5.8333 5.40359 9.90142 6.66971 15.3074 14.6581 9.42618 13.0842 numMergedOcc 0
49 mol 238 unq 7 iso 0 dist 5.9216 6.4398 5.8333 10.1648 10.7386 7.32982 15.3074 14.6581 9.42618 8.85181 numMergedOcc 0
50 mol 240 unq 0 iso 0 dist 6.15305 9.47583 9.75032 4.28414 7.03489 8.44909 10.7371 13.8297 8.33853 7.75407 numMergedOcc 0
51 mol 240 unq 1 iso 0 dist 6.15305 9.47583 9.75032 4.28414 7.03489 8.44909 13.9225 15.1681 5.66537 12.076 numMergedOcc 0
52 mol 240 unq 2 iso 0 dist 7.03489 8.44909 9.75032 4.28414 6.15305 9.47583 7.75407 13.8297 8.33853 10.7371 numMergedOcc 0
53 mol 240 unq 3 iso 0 dist 7.03489 8.44909 9.75032 4.28414 6.15305 9.47583 12.076 15.1681 5.66537 13.9225 numMergedOcc 0
54 mol 240 unq 4 iso 0 dist 8.0951 9.47583 12.9871 4.28414 12.1358 8.44909 10.7371 16.4631 8.33853 7.75407 numMergedOcc 0
55 mol 240 unq 5 iso 0 dist 8.0951 9.47583 12.9871 4.28414 12.1358 8.44909 13.9225 17.2761 5.66537 12.076 numMergedOcc 0
56 mol 248 unq 0 iso 0 dist 8.50864 6.17052 6.53154 5.55137 11.9152 9.77666 6.48757 13.4404 8.53148 5.51827 numMergedOcc 0
57 mol 259 unq 0 iso 0 dist 6.77938 8.59697 12.1218 9.98105 14.5785 8.55558 5.31048 11.4462 6.39918 5.79468 numMergedOcc 0
58 mol 259 unq 1 iso 0 dist 7.76676 8.59697 9.22203 9.98105 10.4634 8.55558 5.31048 9.64797 6.39918 5.79468 numMergedOcc 0
