0 mol 20 unq 0 iso 0 dist 6.09002 7.06175 7.99756 3.79581 4.36087 5.28474 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 6.09002 3.79581 4.36087 7.06175 7.99756 5.28474 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 7.68478 10.0309 8.50003 10.622 7.00717 3.50961 numMergedOcc 0
3 mol 38 unq 0 iso 1 dist 7.68478 10.622 7.00717 10.0309 8.50003 3.50961 numMergedOcc 0
4 mol 38 unq 1 iso 0 dist 6.87122 6.37474 8.50003 6.10572 7.00717 3.50961 numMergedOcc 0
5 mol 38 unq 1 iso 1 dist 6.87122 6.10572 7.00717 6.37474 8.50003 3.50961 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 5.25027 5.80367 7.92114 10.1442 8.18375 7.11515 numMergedOcc 0
7 mol 79 unq 0 iso 1 dist 5.25027 10.1442 8.18375 5.80367 7.92114 7.11515 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.69926 6.92455 4.29937 7.01366 3.65628 3.78063 numMergedOcc 0
9 mol 85 unq 0 iso 1 dist 7.69926 7.01366 3.65628 6.92455 4.29937 3.78063 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 7.69926 6.92455 4.29937 14.8822 9.77774 13.0538 numMergedOcc 0
11 mol 85 unq 1 iso 1 dist 7.69926 14.8822 9.77774 6.92455 4.29937 13.0538 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.69926 7.01366 3.65628 14.8822 9.77774 9.79029 numMergedOcc 0
13 mol 85 unq 1 iso 1 dist 7.69926 14.8822 9.77774 7.01366 3.65628 9.79029 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 5.85237 6.92455 5.37869 7.01366 4.05415 3.78063 numMergedOcc 0
15 mol 85 unq 2 iso 1 dist 5.85237 7.01366 4.05415 6.92455 5.37869 3.78063 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 5.85237 6.92455 5.37869 14.8822 9.97944 13.0538 numMergedOcc 0
17 mol 85 unq 3 iso 1 dist 5.85237 14.8822 9.97944 6.92455 5.37869 13.0538 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 5.85237 7.01366 4.05415 14.8822 9.97944 9.79029 numMergedOcc 0
19 mol 85 unq 3 iso 1 dist 5.85237 14.8822 9.97944 7.01366 4.05415 9.79029 numMergedOcc 0
20 mol 85 unq 4 iso 0 dist 9.11768 8.32224 5.37869 6.15019 4.05415 3.78063 numMergedOcc 0
21 mol 85 unq 4 iso 1 dist 9.11768 6.15019 4.05415 8.32224 5.37869 3.78063 numMergedOcc 0
22 mol 85 unq 5 iso 0 dist 9.11768 8.32224 5.37869 12.6518 9.97944 13.0538 numMergedOcc 0
23 mol 85 unq 5 iso 1 dist 9.11768 12.6518 9.97944 8.32224 5.37869 13.0538 numMergedOcc 0
24 mol 85 unq 5 iso 0 dist 9.11768 6.15019 4.05415 12.6518 9.97944 9.79029 numMergedOcc 0
25 mol 85 unq 5 iso 1 dist 9.11768 12.6518 9.97944 6.15019 4.05415 9.79029 numMergedOcc 0
26 mol 95 unq 0 iso 0 dist 7.51733 4.99174 4.3439 4.46005 6.05855 6.27231 numMergedOcc 0
27 mol 95 unq 0 iso 1 dist 7.51733 4.46005 6.05855 4.99174 4.3439 6.27231 numMergedOcc 0
28 mol 95 unq 1 iso 0 dist 9.01607 8.67311 4.3439 3.94293 6.05855 6.27231 numMergedOcc 0
29 mol 95 unq 1 iso 1 dist 9.01607 3.94293 6.05855 8.67311 4.3439 6.27231 numMergedOcc 0
30 mol 107 unq 0 iso 0 dist 9.45682 10.1994 5.31375 12.9752 6.49371 7.4799 numMergedOcc 0
31 mol 107 unq 0 iso 1 dist 9.45682 12.9752 6.49371 10.1994 5.31375 7.4799 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 6.87434 6.95317 5.92828 7.57713 9.1247 6.38762 numMergedOcc 0
33 mol 112 unq 0 iso 1 dist 6.87434 7.57713 9.1247 6.95317 5.92828 6.38762 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 6.09063 5.76063 6.76852 4.63567 4.94473 4.87973 numMergedOcc 0
35 mol 134 unq 0 iso 1 dist 6.09063 4.63567 4.94473 5.76063 6.76852 4.87973 numMergedOcc 0
36 mol 147 unq 0 iso 0 dist 8.39897 8.57851 7.7464 10.5361 5.12272 5.10774 numMergedOcc 0
37 mol 147 unq 0 iso 1 dist 8.39897 10.5361 5.12272 8.57851 7.7464 5.10774 numMergedOcc 0
38 mol 147 unq 1 iso 0 dist 9.03078 9.14906 7.7464 8.88819 5.12272 5.10774 numMergedOcc 0
39 mol 147 unq 1 iso 1 dist 9.03078 8.88819 5.12272 9.14906 7.7464 5.10774 numMergedOcc 0
40 mol 168 unq 0 iso 0 dist 7.48734 4.67135 7.0961 13.2594 8.21227 13.6611 numMergedOcc 0
41 mol 168 unq 0 iso 1 dist 7.48734 13.2594 8.21227 4.67135 7.0961 13.6611 numMergedOcc 0
42 mol 168 unq 1 iso 0 dist 7.48734 4.67135 7.0961 11.6594 6.53038 12.3632 numMergedOcc 0
43 mol 168 unq 1 iso 1 dist 7.48734 11.6594 6.53038 4.67135 7.0961 12.3632 numMergedOcc 0
44 mol 168 unq 1 iso 0 dist 7.48734 13.2594 8.21227 11.6594 6.53038 11.4215 numMergedOcc 0
45 mol 168 unq 1 iso 1 dist 7.48734 11.6594 6.53038 13.2594 8.21227 11.4215 numMergedOcc 0
46 mol 168 unq 2 iso 0 dist 5.6125 9.87321 7.0961 10.7557 8.21227 13.6611 numMergedOcc 0
47 mol 168 unq 2 iso 1 dist 5.6125 10.7557 8.21227 9.87321 7.0961 13.6611 numMergedOcc 0
48 mol 168 unq 3 iso 0 dist 5.6125 9.87321 7.0961 5.16335 6.53038 12.3632 numMergedOcc 0
49 mol 168 unq 3 iso 1 dist 5.6125 5.16335 6.53038 9.87321 7.0961 12.3632 numMergedOcc 0
50 mol 168 unq 3 iso 0 dist 5.6125 10.7557 8.21227 5.16335 6.53038 11.4215 numMergedOcc 0
51 mol 168 unq 3 iso 1 dist 5.6125 5.16335 6.53038 10.7557 8.21227 11.4215 numMergedOcc 0
52 mol 194 unq 0 iso 0 dist 9.52922 10.0756 4.45769 16.4082 8.99961 6.41254 numMergedOcc 0
53 mol 194 unq 0 iso 1 dist 9.52922 16.4082 8.99961 10.0756 4.45769 6.41254 numMergedOcc 0
54 mol 194 unq 1 iso 0 dist 9.38984 13.9836 5.89939 13.9116 8.18853 6.41254 numMergedOcc 0
55 mol 194 unq 1 iso 1 dist 9.38984 13.9116 8.18853 13.9836 5.89939 6.41254 numMergedOcc 0
56 mol 194 unq 2 iso 0 dist 9.91118 15.5573 5.89939 16.1172 8.18853 6.41254 numMergedOcc 0
57 mol 194 unq 2 iso 1 dist 9.91118 16.1172 8.18853 15.5573 5.89939 6.41254 numMergedOcc 0
