0 mol 1 unq 0 iso 0 dist 8.56884 6.09918 8.78328 5.92202 11.9816 8.26708 7.4817 14.2607 7.73435 10.5521 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.56884 6.09918 8.78328 5.92202 11.9816 8.26708 7.63941 13.8816 5.71995 7.15595 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.33604 7.3915 11.705 12.4076 17.5554 6.82379 8.79272 15.8396 7.12263 5.7531 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 8.33604 7.3915 11.705 12.4076 17.5554 6.82379 6.32152 11.3054 5.00267 11.0223 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 8.33604 7.3915 11.705 9.22548 16.3913 6.24978 8.79272 15.8396 7.12263 4.88215 numMergedOcc 0
5 mol 8 unq 3 iso 0 dist 8.33604 7.3915 11.705 9.22548 16.3913 6.24978 6.32152 11.3054 5.00267 6.80407 numMergedOcc 0
6 mol 8 unq 4 iso 0 dist 8.33604 7.3915 11.705 7.96511 16.2553 9.66439 8.79272 15.8396 7.12263 6.36434 numMergedOcc 0
7 mol 8 unq 5 iso 0 dist 8.33604 7.3915 11.705 7.96511 16.2553 9.66439 6.32152 11.3054 5.00267 8.44094 numMergedOcc 0
8 mol 9 unq 0 iso 0 dist 9.87449 7.032 6.93413 5.06358 12.9221 7.9944 7.51034 8.22285 5.38458 10.4817 numMergedOcc 0
9 mol 19 unq 0 iso 0 dist 8.78293 6.92532 15.1136 10.8007 19.07 7.48847 10.3648 18.7788 7.69625 8.19436 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 8.78293 6.92532 15.1136 5.03957 12.6444 6.36455 10.3648 18.7788 7.69625 6.49317 numMergedOcc 0
11 mol 19 unq 2 iso 0 dist 8.23643 6.92532 6.87842 10.8007 14.2119 7.48847 10.3648 13.0522 7.69625 8.19436 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 8.23643 6.92532 6.87842 5.03957 8.73972 6.36455 10.3648 13.0522 7.69625 6.49317 numMergedOcc 0
13 mol 19 unq 4 iso 0 dist 8.73972 6.36455 6.87842 10.6598 14.2119 7.48847 6.49317 13.0522 7.69625 8.19436 numMergedOcc 0
14 mol 19 unq 5 iso 0 dist 8.73972 6.36455 6.87842 5.03957 8.23643 6.92532 6.49317 13.0522 7.69625 10.3648 numMergedOcc 0
15 mol 19 unq 6 iso 0 dist 6.00439 7.48847 6.34272 10.8007 7.82528 6.92532 8.19436 11.4464 7.69625 10.3648 numMergedOcc 0
16 mol 19 unq 7 iso 0 dist 6.00439 7.48847 6.34272 10.6598 10.2708 6.36455 8.19436 11.4464 7.69625 6.49317 numMergedOcc 0
17 mol 19 unq 8 iso 0 dist 7.82528 6.92532 6.34272 10.8007 6.00439 7.48847 10.3648 11.4464 7.69625 8.19436 numMergedOcc 0
18 mol 19 unq 9 iso 0 dist 7.82528 6.92532 6.34272 5.03957 10.2708 6.36455 10.3648 11.4464 7.69625 6.49317 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 8.6243 6.92648 6.01893 7.58238 14.1661 9.15431 11.5688 13.7503 7.76594 7.21005 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 8.6243 6.92648 6.01893 6.63273 6.91348 9.29384 11.5688 13.7503 7.76594 15.7796 numMergedOcc 0
21 mol 131 unq 2 iso 0 dist 6.91348 9.29384 6.01893 13.2572 14.1661 9.15431 15.7796 13.7503 7.76594 7.21005 numMergedOcc 0
22 mol 131 unq 3 iso 0 dist 6.91348 9.29384 6.01893 6.63273 8.6243 6.92648 15.7796 13.7503 7.76594 11.5688 numMergedOcc 0
23 mol 131 unq 4 iso 0 dist 9.51418 9.29384 15.1974 13.2572 20.4785 9.15431 15.7796 22.682 7.76594 7.21005 numMergedOcc 0
24 mol 131 unq 5 iso 0 dist 9.51418 9.29384 15.1974 6.63273 12.9472 6.92648 15.7796 22.682 7.76594 11.5688 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 6.21253 11.8898 7.86572 9.76015 10.162 8.26172 8.24418 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 8.0179 11.6993 8.12346 6.66155 11.0917 5.52678 6.12973 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 8.0179 11.6993 8.12346 5.4499 11.2178 9.81666 11.0239 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 6.47873 6.26839 6.8278 14.6506 11.9484 8.83356 6.66155 11.0917 5.52678 13.0333 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 6.47873 6.26839 6.8278 14.6506 11.9484 8.83356 5.4499 11.2178 9.81666 18.6469 numMergedOcc 0
30 mol 194 unq 4 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 6.66155 11.0917 5.52678 10.1796 numMergedOcc 0
31 mol 194 unq 5 iso 0 dist 6.47873 6.26839 6.8278 8.48054 8.38695 8.2654 5.4499 11.2178 9.81666 13.5457 numMergedOcc 0
32 mol 194 unq 6 iso 0 dist 5.48258 8.83356 7.69247 14.6506 12.1599 6.26839 13.0333 13.1185 5.52678 6.66155 numMergedOcc 0
33 mol 194 unq 7 iso 0 dist 5.48258 8.83356 7.69247 14.6506 12.1599 6.26839 18.6469 16.6059 9.81666 5.4499 numMergedOcc 0
34 mol 194 unq 8 iso 0 dist 5.48258 8.83356 7.69247 13.5632 13.8412 8.12346 13.0333 13.1185 5.52678 6.12973 numMergedOcc 0
35 mol 194 unq 9 iso 0 dist 5.48258 8.83356 7.69247 13.5632 13.8412 8.12346 18.6469 16.6059 9.81666 11.0239 numMergedOcc 0
36 mol 194 unq 10 iso 0 dist 5.48258 8.83356 7.69247 11.6097 10.3975 8.2654 13.0333 13.1185 5.52678 10.1796 numMergedOcc 0
37 mol 194 unq 11 iso 0 dist 5.48258 8.83356 7.69247 11.6097 10.3975 8.2654 18.6469 16.6059 9.81666 13.5457 numMergedOcc 0
38 mol 194 unq 12 iso 0 dist 6.15769 8.83356 13.9521 14.6506 18.923 6.26839 13.0333 18.6713 5.52678 6.66155 numMergedOcc 0
39 mol 194 unq 13 iso 0 dist 6.15769 8.83356 13.9521 14.6506 18.923 6.26839 18.6469 23.5354 9.81666 5.4499 numMergedOcc 0
40 mol 194 unq 14 iso 0 dist 6.15769 8.83356 13.9521 13.5632 18.1875 8.12346 13.0333 18.6713 5.52678 6.12973 numMergedOcc 0
41 mol 194 unq 15 iso 0 dist 6.15769 8.83356 13.9521 13.5632 18.1875 8.12346 18.6469 23.5354 9.81666 11.0239 numMergedOcc 0
42 mol 194 unq 16 iso 0 dist 6.15769 8.83356 13.9521 11.6097 14.4527 8.2654 13.0333 18.6713 5.52678 10.1796 numMergedOcc 0
43 mol 194 unq 17 iso 0 dist 6.15769 8.83356 13.9521 11.6097 14.4527 8.2654 18.6469 23.5354 9.81666 13.5457 numMergedOcc 0
44 mol 194 unq 18 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 10.1796 11.0917 5.52678 6.66155 numMergedOcc 0
45 mol 194 unq 19 iso 0 dist 8.38695 8.2654 6.8278 8.48054 6.47873 6.26839 13.5457 11.2178 9.81666 5.4499 numMergedOcc 0
46 mol 194 unq 20 iso 0 dist 8.38695 8.2654 6.8278 6.26298 11.6993 8.12346 10.1796 11.0917 5.52678 6.12973 numMergedOcc 0
47 mol 194 unq 21 iso 0 dist 8.38695 8.2654 6.8278 6.26298 11.6993 8.12346 13.5457 11.2178 9.81666 11.0239 numMergedOcc 0
48 mol 194 unq 22 iso 0 dist 8.38695 8.2654 6.8278 11.6097 11.9484 8.83356 10.1796 11.0917 5.52678 13.0333 numMergedOcc 0
49 mol 194 unq 23 iso 0 dist 8.38695 8.2654 6.8278 11.6097 11.9484 8.83356 13.5457 11.2178 9.81666 18.6469 numMergedOcc 0
50 mol 218 unq 0 iso 0 dist 8.53199 5.76954 8.21424 4.72474 12.0819 6.29367 10.4526 16.9043 8.93185 6.90702 numMergedOcc 0
51 mol 218 unq 1 iso 0 dist 8.53199 5.76954 8.21424 5.61978 13.6555 9.20961 10.4526 16.9043 8.93185 8.94041 numMergedOcc 0
52 mol 218 unq 2 iso 0 dist 8.53199 6.29511 10.1198 4.72474 12.0819 8.86175 11.438 17.0082 9.06334 9.46742 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 9.62609 5.4694 5.23507 5.22356 13.4493 8.38865 7.22396 10.841 9.56257 10.5813 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 8.17891 8.38865 5.92529 5.22356 6.95902 5.4694 10.5813 7.1372 9.56257 7.22396 numMergedOcc 0
55 mol 227 unq 2 iso 0 dist 6.95902 5.4694 5.92529 5.22356 8.17891 8.38865 7.22396 7.1372 9.56257 10.5813 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 9.68513 6.4398 6.48619 5.40359 12.5477 6.66971 5.87253 9.47845 9.89583 10.7508 numMergedOcc 0
57 mol 238 unq 1 iso 0 dist 9.68513 6.4398 6.48619 10.1648 9.29858 7.32982 5.87253 9.47845 9.89583 10.7551 numMergedOcc 0
58 mol 238 unq 2 iso 0 dist 9.29858 7.32982 6.48619 10.0191 12.5477 6.66971 10.7551 9.47845 9.89583 10.7508 numMergedOcc 0
59 mol 238 unq 3 iso 0 dist 9.29858 7.32982 6.48619 10.1648 9.68513 6.4398 10.7551 9.47845 9.89583 5.87253 numMergedOcc 0
60 mol 238 unq 4 iso 0 dist 9.90142 6.66971 5.8333 5.40359 5.9216 6.4398 10.7508 6.92409 9.89583 5.87253 numMergedOcc 0
61 mol 238 unq 5 iso 0 dist 9.90142 6.66971 5.8333 10.0191 10.7386 7.32982 10.7508 6.92409 9.89583 10.7551 numMergedOcc 0
62 mol 238 unq 6 iso 0 dist 5.9216 6.4398 5.8333 5.40359 9.90142 6.66971 5.87253 6.92409 9.89583 10.7508 numMergedOcc 0
63 mol 238 unq 7 iso 0 dist 5.9216 6.4398 5.8333 10.1648 10.7386 7.32982 5.87253 6.92409 9.89583 10.7551 numMergedOcc 0
64 mol 240 unq 0 iso 0 dist 6.15305 9.47583 9.75032 4.28414 7.03489 8.44909 10.6074 15.1106 9.53915 9.23135 numMergedOcc 0
65 mol 240 unq 1 iso 0 dist 7.03489 8.44909 9.75032 4.28414 6.15305 9.47583 9.23135 15.1106 9.53915 10.6074 numMergedOcc 0
66 mol 240 unq 2 iso 0 dist 8.0951 9.47583 12.9871 4.28414 12.1358 8.44909 10.6074 14.5055 9.53915 9.23135 numMergedOcc 0
