0 mol 9 unq 0 iso 0 dist 9.93613 9.03359 8.04924 6.49896 5.55437 6.81435 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.99711 4.46001 7.25684 5.55187 5.38458 7.77807 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 5.99711 11.6572 8.22285 5.55187 5.38458 6.93413 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 5.04036 11.1067 8.00865 10.6435 9.10587 7.65383 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 5.04036 13.4623 9.11447 10.6435 9.10587 8.58799 numMergedOcc 0
5 mol 13 unq 2 iso 0 dist 9.44958 11.4587 8.00865 12.1708 9.10587 7.65383 numMergedOcc 0
6 mol 13 unq 3 iso 0 dist 9.44958 4.14738 9.11447 12.1708 9.10587 8.58799 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 7.27883 12.2054 6.93364 6.71712 8.63361 11.952 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 7.27883 9.09489 6.34821 6.71712 8.63361 11.0362 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 7.86269 4.97513 7.54496 7.25581 7.51138 10.2107 numMergedOcc 0
10 mol 90 unq 1 iso 0 dist 7.86269 4.97513 7.54496 11.1561 9.86843 10.6903 numMergedOcc 0
11 mol 90 unq 2 iso 0 dist 7.86269 4.97513 7.54496 11.7919 6.86146 10.968 numMergedOcc 0
12 mol 90 unq 3 iso 0 dist 7.86269 4.97513 7.54496 9.89859 8.83296 5.69605 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 8.42713 12.5605 7.85041 8.02579 5.51624 9.97157 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 8.42713 12.5605 7.85041 12.3147 7.8674 8.01991 numMergedOcc 0
15 mol 93 unq 2 iso 0 dist 8.21032 10.878 7.85041 12.1011 5.51624 9.97157 numMergedOcc 0
16 mol 93 unq 3 iso 0 dist 8.21032 10.878 7.85041 9.97789 7.8674 8.01991 numMergedOcc 0
17 mol 111 unq 0 iso 0 dist 9.82548 15.3233 7.92876 15.0098 8.77841 5.7284 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 7.85653 6.63467 8.01587 10.1665 6.98813 5.39245 numMergedOcc 0
19 mol 140 unq 1 iso 0 dist 7.85653 6.63467 8.01587 5.62223 5.39314 9.56001 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 6.4752 4.10092 5.1101 6.96543 9.23528 6.29593 numMergedOcc 0
21 mol 147 unq 1 iso 0 dist 6.4752 4.47436 7.01133 6.96543 9.23528 11.2831 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 9.2042 12.9483 7.53158 15.6002 9.14458 6.2969 numMergedOcc 0
23 mol 154 unq 1 iso 0 dist 9.2042 9.90775 7.43407 15.6002 9.14458 6.70864 numMergedOcc 0
24 mol 163 unq 0 iso 0 dist 8.12896 4.06532 5.92747 12.3276 8.23605 8.26893 numMergedOcc 0
25 mol 163 unq 1 iso 0 dist 8.88092 5.93645 5.92747 5.83597 8.23605 8.26893 numMergedOcc 0
26 mol 163 unq 2 iso 0 dist 9.3832 14.7696 8.21476 16.5085 7.3546 9.79955 numMergedOcc 0
27 mol 163 unq 3 iso 0 dist 9.3832 9.55472 7.66897 16.5085 7.3546 12.6283 numMergedOcc 0
28 mol 163 unq 4 iso 0 dist 6.0247 6.00005 8.21476 6.56076 7.3546 9.79955 numMergedOcc 0
29 mol 163 unq 5 iso 0 dist 6.0247 6.69711 7.66897 6.56076 7.3546 12.6283 numMergedOcc 0
30 mol 163 unq 6 iso 0 dist 6.40873 9.09427 8.21476 9.55758 7.3546 9.79955 numMergedOcc 0
31 mol 163 unq 7 iso 0 dist 6.40873 5.45003 7.66897 9.55758 7.3546 12.6283 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 7.47107 11.5684 9.77862 11.4288 5.52678 12.0339 numMergedOcc 0
33 mol 194 unq 1 iso 0 dist 7.47107 11.5684 9.77862 15.4624 9.81666 18.7006 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 9.86462 6.34706 6.23898 5.92515 8.22792 6.08698 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 8.28454 8.59036 7.29542 7.01029 6.53728 7.13893 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 8.12518 4.71182 9.20589 9.41039 9.56257 8.84427 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 8.12518 7.51342 7.89801 9.41039 9.56257 5.95112 numMergedOcc 0
38 mol 237 unq 0 iso 0 dist 9.74081 9.68452 7.35569 12.7987 9.84466 16.0031 numMergedOcc 0
39 mol 237 unq 1 iso 0 dist 9.74081 9.68452 7.35569 5.78318 6.16557 10.1969 numMergedOcc 0
40 mol 237 unq 2 iso 0 dist 9.74081 9.68452 7.35569 10.217 5.4813 7.50329 numMergedOcc 0
41 mol 240 unq 0 iso 0 dist 8.44671 7.4874 8.33853 10.128 9.53915 4.4268 numMergedOcc 0
42 mol 240 unq 1 iso 0 dist 8.44671 3.97303 5.66537 10.128 9.53915 8.76585 numMergedOcc 0
43 mol 250 unq 0 iso 0 dist 9.43554 14.0983 8.70484 15.3306 9.60364 6.11942 numMergedOcc 0
44 mol 250 unq 1 iso 0 dist 9.21681 10.9117 8.70484 14.1113 9.60364 6.11942 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 8.28871 9.63193 9.42738 5.7394 5.74568 8.79843 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 7.94668 12.2052 9.42738 6.63115 5.74568 8.79843 numMergedOcc 0
47 mol 286 unq 0 iso 0 dist 7.3415 8.56408 8.72146 7.28845 5.91064 10.4684 numMergedOcc 0
