0 mol 26 unq 0 iso 0 dist 8.11402 3.99573 8.82012 14.3932 9.16962 13.2136 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.11402 14.3932 9.16962 3.99573 8.82012 13.2136 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.55469 6.98188 6.40841 8.66876 7.58407 11.0466 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 9.55469 8.66876 7.58407 6.98188 6.40841 11.0466 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 9.55469 6.98188 6.40841 5.69963 6.31428 5.90225 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 9.55469 5.69963 6.31428 6.98188 6.40841 5.90225 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.55469 8.66876 7.58407 5.69963 6.31428 6.47414 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 9.55469 5.69963 6.31428 8.66876 7.58407 6.47414 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 5.99959 9.0406 6.40841 6.58144 7.58407 11.0466 numMergedOcc 0
9 mol 58 unq 2 iso 1 dist 5.99959 6.58144 7.58407 9.0406 6.40841 11.0466 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 5.99959 9.0406 6.40841 4.98107 6.31428 5.90225 numMergedOcc 0
11 mol 58 unq 3 iso 1 dist 5.99959 4.98107 6.31428 9.0406 6.40841 5.90225 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 5.99959 6.58144 7.58407 4.98107 6.31428 6.47414 numMergedOcc 0
13 mol 58 unq 3 iso 1 dist 5.99959 4.98107 6.31428 6.58144 7.58407 6.47414 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 5.42653 11.3925 8.39016 5.52097 6.99355 7.60026 numMergedOcc 0
15 mol 90 unq 0 iso 1 dist 5.42653 5.52097 6.99355 11.3925 8.39016 7.60026 numMergedOcc 0
16 mol 90 unq 1 iso 0 dist 8.71991 13.8549 8.39016 10.226 6.99355 7.60026 numMergedOcc 0
17 mol 90 unq 1 iso 1 dist 8.71991 10.226 6.99355 13.8549 8.39016 7.60026 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.01727 9.63729 9.39469 6.27843 4.76815 6.90824 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 9.01727 6.27843 4.76815 9.63729 9.39469 6.90824 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 9.08874 7.07738 6.62561 4.8798 7.63616 7.22206 numMergedOcc 0
21 mol 117 unq 0 iso 1 dist 9.08874 4.8798 7.63616 7.07738 6.62561 7.22206 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 9.87854 10.7944 7.39889 16.5599 9.63176 11.6667 numMergedOcc 0
23 mol 119 unq 0 iso 1 dist 9.87854 16.5599 9.63176 10.7944 7.39889 11.6667 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 9.87854 10.7944 7.39889 5.72463 7.44174 11.3169 numMergedOcc 0
25 mol 119 unq 1 iso 1 dist 9.87854 5.72463 7.44174 10.7944 7.39889 11.3169 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 9.87854 16.5599 9.63176 5.72463 7.44174 12.4603 numMergedOcc 0
27 mol 119 unq 1 iso 1 dist 9.87854 5.72463 7.44174 16.5599 9.63176 12.4603 numMergedOcc 0
28 mol 119 unq 2 iso 0 dist 8.15125 5.78487 6.19042 13.4592 8.43904 9.22558 numMergedOcc 0
29 mol 119 unq 2 iso 1 dist 8.15125 13.4592 8.43904 5.78487 6.19042 9.22558 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 5.35423 7.87106 6.95408 6.11703 9.57538 8.2172 numMergedOcc 0
31 mol 194 unq 0 iso 1 dist 5.35423 6.11703 9.57538 7.87106 6.95408 8.2172 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 5.35423 7.87106 6.95408 6.8726 9.2285 10.5623 numMergedOcc 0
33 mol 194 unq 1 iso 1 dist 5.35423 6.8726 9.2285 7.87106 6.95408 10.5623 numMergedOcc 0
34 mol 194 unq 2 iso 0 dist 5.35423 7.87106 6.95408 6.80685 7.58278 11.7618 numMergedOcc 0
35 mol 194 unq 2 iso 1 dist 5.35423 6.80685 7.58278 7.87106 6.95408 11.7618 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 5.35423 6.11703 9.57538 6.8726 9.2285 4.53419 numMergedOcc 0
37 mol 194 unq 1 iso 1 dist 5.35423 6.8726 9.2285 6.11703 9.57538 4.53419 numMergedOcc 0
38 mol 194 unq 2 iso 0 dist 5.35423 6.11703 9.57538 6.80685 7.58278 8.12479 numMergedOcc 0
39 mol 194 unq 2 iso 1 dist 5.35423 6.80685 7.58278 6.11703 9.57538 8.12479 numMergedOcc 0
40 mol 194 unq 2 iso 0 dist 5.35423 6.8726 9.2285 6.80685 7.58278 4.40125 numMergedOcc 0
41 mol 194 unq 2 iso 1 dist 5.35423 6.80685 7.58278 6.8726 9.2285 4.40125 numMergedOcc 0
42 mol 214 unq 0 iso 0 dist 6.74861 6.75833 7.46831 14.183 8.60247 10.3105 numMergedOcc 0
43 mol 214 unq 0 iso 1 dist 6.74861 14.183 8.60247 6.75833 7.46831 10.3105 numMergedOcc 0
44 mol 238 unq 0 iso 0 dist 6.54661 10.4397 5.38637 10.1821 6.55759 5.42006 numMergedOcc 0
45 mol 238 unq 0 iso 1 dist 6.54661 10.1821 6.55759 10.4397 5.38637 5.42006 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 8.97261 11.886 8.96531 10.1821 7.02475 12.9854 numMergedOcc 0
47 mol 238 unq 1 iso 1 dist 8.97261 10.1821 7.02475 11.886 8.96531 12.9854 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 5.3853 10.228 8.14172 5.88292 6.77463 5.31152 numMergedOcc 0
49 mol 238 unq 2 iso 1 dist 5.3853 5.88292 6.77463 10.228 8.14172 5.31152 numMergedOcc 0
50 mol 256 unq 0 iso 0 dist 7.54244 9.41321 5.24676 7.29128 8.09363 9.92128 numMergedOcc 0
51 mol 256 unq 0 iso 1 dist 7.54244 7.29128 8.09363 9.41321 5.24676 9.92128 numMergedOcc 0
52 mol 276 unq 0 iso 0 dist 7.3327 11.6308 9.38971 4.73253 8.71541 8.62129 numMergedOcc 0
53 mol 276 unq 0 iso 1 dist 7.3327 4.73253 8.71541 11.6308 9.38971 8.62129 numMergedOcc 0
54 mol 276 unq 1 iso 0 dist 7.3327 11.6308 9.38971 5.75852 8.76347 8.88126 numMergedOcc 0
55 mol 276 unq 1 iso 1 dist 7.3327 5.75852 8.76347 11.6308 9.38971 8.88126 numMergedOcc 0
56 mol 276 unq 1 iso 0 dist 7.3327 4.73253 8.71541 5.75852 8.76347 5.50479 numMergedOcc 0
57 mol 276 unq 1 iso 1 dist 7.3327 5.75852 8.76347 4.73253 8.71541 5.50479 numMergedOcc 0
