0 mol 8 unq 0 iso 0 dist 8.89145 9.95165 12.1308 15.9496 16.9962 6.82379 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 8.89145 9.95165 12.1308 14.678 18.3272 6.24978 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 8.89145 9.95165 12.1308 17.3707 20.6134 9.66439 numMergedOcc 0
3 mol 8 unq 3 iso 0 dist 8.89145 9.95165 12.1308 12.915 14.0228 7.3915 numMergedOcc 0
4 mol 8 unq 4 iso 0 dist 6.92865 9.95165 5.02333 15.9496 9.88063 6.82379 numMergedOcc 0
5 mol 8 unq 5 iso 0 dist 6.92865 9.95165 5.02333 14.678 11.0287 6.24978 numMergedOcc 0
6 mol 8 unq 6 iso 0 dist 6.92865 9.95165 5.02333 17.3707 14.5532 9.66439 numMergedOcc 0
7 mol 8 unq 7 iso 0 dist 6.92865 9.95165 5.02333 12.915 10.5239 7.3915 numMergedOcc 0
8 mol 19 unq 0 iso 0 dist 8.18518 8.63204 5.18512 15.2051 9.78944 7.48847 numMergedOcc 0
9 mol 19 unq 1 iso 0 dist 8.18518 8.63204 5.18512 6.57145 4.54938 6.92532 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 8.18518 8.63204 5.18512 6.01189 7.82074 6.36455 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.85331 4.61828 6.00575 9.20254 6.86014 6.60423 numMergedOcc 0
12 mol 24 unq 1 iso 0 dist 6.85331 4.61828 6.00575 8.8926 11.573 7.83786 numMergedOcc 0
13 mol 53 unq 0 iso 0 dist 8.94173 8.83047 13.3355 14.3035 20.3371 7.09169 numMergedOcc 0
14 mol 53 unq 1 iso 0 dist 8.62669 6.95013 8.64107 5.02495 12.3257 7.09169 numMergedOcc 0
15 mol 56 unq 0 iso 0 dist 8.04926 6.78356 6.32957 14.6957 12.243 8.63486 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 8.8058 8.4928 9.62257 5.09908 8.33063 9.96399 numMergedOcc 0
17 mol 60 unq 1 iso 0 dist 8.8058 8.4928 9.62257 10.0675 8.7531 7.55695 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 8.8058 8.4928 9.62257 14.3334 11.5843 8.82176 numMergedOcc 0
19 mol 75 unq 0 iso 0 dist 7.16583 6.59253 5.36954 8.82267 12.3916 7.9233 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 9.22376 9.924 10.121 3.85308 7.66905 7.33422 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 9.57498 6.14415 9.52882 6.89762 6.45675 7.12017 numMergedOcc 0
22 mol 112 unq 0 iso 0 dist 5.81552 6.48223 3.98564 10.626 9.60462 7.23962 numMergedOcc 0
23 mol 112 unq 1 iso 0 dist 5.81552 6.48223 3.98564 8.19562 11.192 9.00067 numMergedOcc 0
24 mol 112 unq 2 iso 0 dist 5.81552 6.48223 3.98564 5.71097 10.9806 9.89499 numMergedOcc 0
25 mol 112 unq 3 iso 0 dist 5.81552 6.48223 3.98564 5.27363 7.45389 7.30204 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 9.24515 7.73842 11.128 5.24877 7.5732 6.34525 numMergedOcc 0
27 mol 115 unq 0 iso 0 dist 7.44784 8.99731 5.61704 7.64822 7.30858 5.72642 numMergedOcc 0
28 mol 115 unq 1 iso 0 dist 9.56867 8.99731 7.3094 7.64822 7.88312 5.72642 numMergedOcc 0
29 mol 124 unq 0 iso 0 dist 7.23052 4.83761 9.70339 8.39675 14.4958 8.97264 numMergedOcc 0
30 mol 124 unq 1 iso 0 dist 7.23052 4.83761 9.70339 10.3233 14.8242 8.80896 numMergedOcc 0
31 mol 130 unq 0 iso 0 dist 9.05626 4.85559 5.97111 7.09664 8.70949 8.33077 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 8.03597 4.97005 7.63746 11.3961 16.8364 9.56197 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 8.03597 4.97005 7.63746 10.0248 10.818 7.24795 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 8.03597 4.97005 7.63746 9.14781 15.5216 8.64409 numMergedOcc 0
35 mol 186 unq 3 iso 0 dist 8.03597 4.97005 7.63746 6.69897 13.7617 7.60202 numMergedOcc 0
36 mol 186 unq 4 iso 0 dist 9.08672 5.67811 5.81909 9.13357 12.8546 7.28841 numMergedOcc 0
37 mol 188 unq 0 iso 0 dist 7.63268 9.53031 4.46081 7.63236 9.96154 8.47347 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 7.27481 9.04499 6.42798 15.0199 12.6531 9.2581 numMergedOcc 0
39 mol 222 unq 1 iso 0 dist 7.27481 9.04499 6.42798 8.88 11.8674 9.62632 numMergedOcc 0
40 mol 222 unq 2 iso 0 dist 7.27481 9.04499 6.42798 5.68063 6.00706 7.862 numMergedOcc 0
41 mol 253 unq 0 iso 0 dist 7.80525 9.92698 10.4713 6.27022 11.6434 9.66465 numMergedOcc 0
42 mol 253 unq 1 iso 0 dist 7.71295 9.92698 6.89124 6.27022 6.73034 9.66465 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 4.78812 7.11691 8.7909 11.9042 13.2494 9.64269 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 4.78812 7.11691 8.7909 9.87214 13.168 6.88809 numMergedOcc 0
45 mol 272 unq 2 iso 0 dist 4.78812 7.11691 8.7909 5.27123 8.33638 8.46061 numMergedOcc 0
46 mol 272 unq 3 iso 0 dist 6.62923 7.11691 4.86504 11.9042 9.97651 9.64269 numMergedOcc 0
47 mol 272 unq 4 iso 0 dist 6.62923 7.11691 4.86504 9.87214 10.1698 6.88809 numMergedOcc 0
48 mol 272 unq 5 iso 0 dist 6.62923 7.11691 4.86504 5.27123 8.46116 8.46061 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 9.81087 9.4626 7.52207 7.23876 12.8531 7.52109 numMergedOcc 0
