0 mol 1 unq 0 iso 0 dist 8.56884 6.09918 8.78328 5.92202 11.9816 8.26708 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 12.4076 17.5554 6.82379 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 8.33604 7.3915 11.705 9.22548 16.3913 6.24978 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 8.33604 7.3915 11.705 7.96511 16.2553 9.66439 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.87449 7.032 6.93413 5.06358 12.9221 7.9944 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 8.78293 6.92532 15.1136 10.8007 19.07 7.48847 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.78293 6.92532 15.1136 5.03957 12.6444 6.36455 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 8.23643 6.92532 6.87842 10.8007 14.2119 7.48847 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 8.23643 6.92532 6.87842 5.03957 8.73972 6.36455 numMergedOcc 0
9 mol 19 unq 4 iso 0 dist 8.73972 6.36455 6.87842 10.6598 14.2119 7.48847 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 8.73972 6.36455 6.87842 5.03957 8.23643 6.92532 numMergedOcc 0
11 mol 19 unq 6 iso 0 dist 6.00439 7.48847 6.34272 10.8007 7.82528 6.92532 numMergedOcc 0
12 mol 19 unq 7 iso 0 dist 6.00439 7.48847 6.34272 10.6598 10.2708 6.36455 numMergedOcc 0
13 mol 19 unq 8 iso 0 dist 7.82528 6.92532 6.34272 10.8007 6.00439 7.48847 numMergedOcc 0
14 mol 19 unq 9 iso 0 dist 7.82528 6.92532 6.34272 5.03957 10.2708 6.36455 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 7.685 5.81959 9.96732 10.6808 16.7035 6.90155 numMergedOcc 0
16 mol 26 unq 0 iso 0 dist 9.16962 5.69955 4.80984 9.78225 10.9838 8.6385 numMergedOcc 0
17 mol 45 unq 0 iso 0 dist 7.06308 6.06454 5.94047 5.24762 6.34173 9.44459 numMergedOcc 0
18 mol 45 unq 1 iso 0 dist 6.34173 9.44459 5.94047 5.24762 7.06308 6.06454 numMergedOcc 0
19 mol 70 unq 0 iso 0 dist 8.33704 9.31969 11.6542 5.22626 7.92394 6.54023 numMergedOcc 0
20 mol 70 unq 1 iso 0 dist 7.92394 6.54023 11.6542 5.22626 8.33704 9.31969 numMergedOcc 0
21 mol 70 unq 2 iso 0 dist 9.93423 6.54023 11.7156 5.22626 11.6205 9.31969 numMergedOcc 0
22 mol 70 unq 3 iso 0 dist 9.34122 6.54023 4.95817 5.22626 13.4942 9.31969 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 8.70133 7.04044 11.2505 5.4148 4.65521 8.73253 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 4.65521 8.73253 11.2505 5.4148 8.70133 7.04044 numMergedOcc 0
25 mol 73 unq 2 iso 0 dist 7.13087 5.16364 5.69513 8.07446 13.6145 8.85586 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 9.47876 7.1589 12.5072 4.26409 13.6587 8.00777 numMergedOcc 0
27 mol 109 unq 0 iso 0 dist 5.87358 5.34214 5.94311 4.98336 9.20981 7.55384 numMergedOcc 0
28 mol 109 unq 1 iso 0 dist 9.20981 7.55384 5.94311 4.98336 5.87358 5.34214 numMergedOcc 0
29 mol 131 unq 0 iso 0 dist 8.6243 8.71039 8.15392 5.55373 12.5969 8.86329 numMergedOcc 0
30 mol 131 unq 1 iso 0 dist 8.6243 6.92648 6.01893 7.58238 14.1661 9.15431 numMergedOcc 0
31 mol 131 unq 2 iso 0 dist 8.6243 6.92648 6.01893 6.63273 6.91348 9.29384 numMergedOcc 0
32 mol 131 unq 3 iso 0 dist 6.91348 9.29384 6.01893 13.2572 14.1661 9.15431 numMergedOcc 0
33 mol 131 unq 4 iso 0 dist 6.91348 9.29384 6.01893 6.63273 8.6243 6.92648 numMergedOcc 0
34 mol 131 unq 5 iso 0 dist 9.51418 9.29384 15.1974 13.2572 20.4785 9.15431 numMergedOcc 0
35 mol 131 unq 6 iso 0 dist 9.51418 9.29384 15.1974 6.63273 12.9472 6.92648 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 5.62899 13.0121 7.36779 numMergedOcc 0
37 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 6.21253 11.8898 7.86572 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.94688 6.51749 10.4684 10.1912 14.4632 7.20392 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 6.71012 6.51749 12.69 10.1912 15.4777 7.20392 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 8.0179 11.6993 8.12346 numMergedOcc 0
41 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 14.6506 11.9484 8.83356 numMergedOcc 0
42 mol 194 unq 2 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 numMergedOcc 0
43 mol 194 unq 3 iso 0 dist 5.48258 8.83356 7.69247 14.6506 12.1599 6.26839 numMergedOcc 0
44 mol 194 unq 4 iso 0 dist 5.48258 8.83356 7.69247 13.5632 13.8412 8.12346 numMergedOcc 0
45 mol 194 unq 5 iso 0 dist 5.48258 8.83356 7.69247 11.6097 10.3975 8.2654 numMergedOcc 0
46 mol 194 unq 6 iso 0 dist 6.15769 8.83356 13.9521 14.6506 18.923 6.26839 numMergedOcc 0
47 mol 194 unq 7 iso 0 dist 6.15769 8.83356 13.9521 13.5632 18.1875 8.12346 numMergedOcc 0
48 mol 194 unq 8 iso 0 dist 6.15769 8.83356 13.9521 11.6097 14.4527 8.2654 numMergedOcc 0
49 mol 194 unq 9 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 numMergedOcc 0
50 mol 194 unq 10 iso 0 dist 8.38695 8.2654 6.8278 6.26298 11.6993 8.12346 numMergedOcc 0
51 mol 194 unq 11 iso 0 dist 8.38695 8.2654 6.8278 11.6097 11.9484 8.83356 numMergedOcc 0
52 mol 195 unq 0 iso 0 dist 8.36117 7.62942 9.08602 10.7531 9.36654 6.60567 numMergedOcc 0
53 mol 195 unq 1 iso 0 dist 6.77578 7.62942 8.18628 10.7531 11.955 6.60567 numMergedOcc 0
54 mol 204 unq 0 iso 0 dist 9.59333 8.0144 10.3763 11.117 17.5429 7.80841 numMergedOcc 0
55 mol 218 unq 0 iso 0 dist 8.53199 5.76954 8.21424 4.72474 12.0819 6.29367 numMergedOcc 0
56 mol 218 unq 1 iso 0 dist 8.53199 5.76954 8.21424 5.61978 13.6555 9.20961 numMergedOcc 0
57 mol 218 unq 2 iso 0 dist 8.53199 6.29511 10.1198 4.72474 12.0819 8.86175 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 5.22356 13.4493 8.38865 numMergedOcc 0
59 mol 227 unq 1 iso 0 dist 8.17891 8.38865 5.92529 5.22356 6.95902 5.4694 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 6.95902 5.4694 5.92529 5.22356 8.17891 8.38865 numMergedOcc 0
61 mol 234 unq 0 iso 0 dist 6.25105 8.24186 13.0974 8.59858 14.5666 7.56091 numMergedOcc 0
62 mol 234 unq 1 iso 0 dist 6.25105 8.24186 13.0974 5.88703 7.85175 7.5366 numMergedOcc 0
63 mol 234 unq 2 iso 0 dist 9.5707 7.5366 16.5499 9.82284 17.3705 7.56091 numMergedOcc 0
64 mol 234 unq 3 iso 0 dist 9.5707 7.5366 16.5499 5.88703 10.3388 8.24186 numMergedOcc 0
65 mol 234 unq 4 iso 0 dist 7.85175 7.5366 13.0974 9.82284 14.5666 7.56091 numMergedOcc 0
66 mol 234 unq 5 iso 0 dist 7.85175 7.5366 13.0974 5.88703 6.25105 8.24186 numMergedOcc 0
67 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 5.40359 12.5477 6.66971 numMergedOcc 0
68 mol 238 unq 1 iso 0 dist 9.68513 6.4398 6.48619 10.1648 9.29858 7.32982 numMergedOcc 0
69 mol 238 unq 2 iso 0 dist 9.29858 7.32982 6.48619 10.0191 12.5477 6.66971 numMergedOcc 0
70 mol 238 unq 3 iso 0 dist 9.29858 7.32982 6.48619 10.1648 9.68513 6.4398 numMergedOcc 0
71 mol 238 unq 4 iso 0 dist 9.90142 6.66971 5.8333 5.40359 5.9216 6.4398 numMergedOcc 0
72 mol 238 unq 5 iso 0 dist 9.90142 6.66971 5.8333 10.0191 10.7386 7.32982 numMergedOcc 0
73 mol 238 unq 6 iso 0 dist 5.9216 6.4398 5.8333 5.40359 9.90142 6.66971 numMergedOcc 0
74 mol 238 unq 7 iso 0 dist 5.9216 6.4398 5.8333 10.1648 10.7386 7.32982 numMergedOcc 0
75 mol 240 unq 0 iso 0 dist 6.15305 9.47583 9.75032 4.28414 7.03489 8.44909 numMergedOcc 0
76 mol 240 unq 1 iso 0 dist 7.03489 8.44909 9.75032 4.28414 6.15305 9.47583 numMergedOcc 0
77 mol 240 unq 2 iso 0 dist 8.0951 9.47583 12.9871 4.28414 12.1358 8.44909 numMergedOcc 0
78 mol 248 unq 0 iso 0 dist 8.50864 6.17052 6.53154 5.55137 11.9152 9.77666 numMergedOcc 0
79 mol 259 unq 0 iso 0 dist 6.77938 8.59697 12.1218 9.98105 14.5785 8.55558 numMergedOcc 0
80 mol 259 unq 1 iso 0 dist 7.76676 8.59697 9.22203 9.98105 10.4634 8.55558 numMergedOcc 0
81 mol 276 unq 0 iso 0 dist 9.38971 6.70215 5.86074 5.41205 12.4019 7.25423 numMergedOcc 0
82 mol 276 unq 1 iso 0 dist 9.38971 6.70215 5.86074 10.6102 13.6336 7.88706 numMergedOcc 0
83 mol 276 unq 2 iso 0 dist 9.38971 6.70215 5.86074 8.62129 8.71541 7.23916 numMergedOcc 0
84 mol 276 unq 3 iso 0 dist 8.71541 7.23916 5.86074 8.62129 9.38971 6.70215 numMergedOcc 0
85 mol 276 unq 4 iso 0 dist 8.71541 7.23916 5.86074 10.1636 12.4019 7.25423 numMergedOcc 0
86 mol 276 unq 5 iso 0 dist 8.71541 7.23916 5.86074 12.4616 13.6336 7.88706 numMergedOcc 0
