0 mol 44 unq 0 iso 0 dist 7.85573 6.10468 6.21423 7.37043 8.6578 6.36853 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 6.21423 6.10468 7.85573 6.36853 8.6578 7.37043 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.67403 15.8202 7.28917 14.3446 5.01022 4.91795 numMergedOcc 0
3 mol 61 unq 0 iso 1 dist 7.28917 15.8202 9.67403 4.91795 5.01022 14.3446 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 7.02173 4.78291 6.60294 4.91795 5.47405 5.81582 numMergedOcc 0
5 mol 61 unq 1 iso 1 dist 6.60294 4.78291 7.02173 5.81582 5.47405 4.91795 numMergedOcc 0
6 mol 61 unq 2 iso 0 dist 7.02173 4.78291 6.60294 7.64582 9.08027 4.83991 numMergedOcc 0
7 mol 61 unq 2 iso 1 dist 6.60294 4.78291 7.02173 4.83991 9.08027 7.64582 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.31624 3.85496 5.68726 15.1994 7.95383 12.2874 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 5.68726 3.85496 8.31624 12.2874 7.95383 15.1994 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.31624 10.1335 7.46882 15.1994 7.95383 7.81776 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 7.46882 10.1335 8.31624 7.81776 7.95383 15.1994 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.78545 7.44316 9.97998 12.2874 7.99116 7.81776 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 9.97998 7.44316 9.78545 7.81776 7.99116 12.2874 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 9.78545 7.44316 9.97998 17.5543 9.19481 13.9722 numMergedOcc 0
15 mol 73 unq 3 iso 1 dist 9.97998 7.44316 9.78545 13.9722 9.19481 17.5543 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 5.68726 7.44316 7.46882 12.2874 7.95383 7.81776 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 7.46882 7.44316 5.68726 7.81776 7.95383 12.2874 numMergedOcc 0
18 mol 83 unq 0 iso 0 dist 8.95808 10.3407 8.48766 7.07855 6.24063 11.0193 numMergedOcc 0
19 mol 83 unq 0 iso 1 dist 8.48766 10.3407 8.95808 11.0193 6.24063 7.07855 numMergedOcc 0
20 mol 83 unq 1 iso 0 dist 9.33202 6.27574 6.55004 12.4274 9.51347 11.1783 numMergedOcc 0
21 mol 83 unq 1 iso 1 dist 6.55004 6.27574 9.33202 11.1783 9.51347 12.4274 numMergedOcc 0
22 mol 83 unq 2 iso 0 dist 9.33202 7.3091 7.16614 12.4274 9.51347 14.9677 numMergedOcc 0
23 mol 83 unq 2 iso 1 dist 7.16614 7.3091 9.33202 14.9677 9.51347 12.4274 numMergedOcc 0
24 mol 83 unq 3 iso 0 dist 9.33202 11.2611 9.35188 12.4274 9.51347 18.2639 numMergedOcc 0
25 mol 83 unq 3 iso 1 dist 9.35188 11.2611 9.33202 18.2639 9.51347 12.4274 numMergedOcc 0
26 mol 83 unq 2 iso 0 dist 6.55004 5.15058 7.16614 11.1783 9.51347 14.9677 numMergedOcc 0
27 mol 83 unq 2 iso 1 dist 7.16614 5.15058 6.55004 14.9677 9.51347 11.1783 numMergedOcc 0
28 mol 83 unq 3 iso 0 dist 6.55004 8.86913 9.35188 11.1783 9.51347 18.2639 numMergedOcc 0
29 mol 83 unq 3 iso 1 dist 9.35188 8.86913 6.55004 18.2639 9.51347 11.1783 numMergedOcc 0
30 mol 83 unq 3 iso 0 dist 7.16614 4.14953 9.35188 14.9677 9.51347 18.2639 numMergedOcc 0
31 mol 83 unq 3 iso 1 dist 9.35188 4.14953 7.16614 18.2639 9.51347 14.9677 numMergedOcc 0
32 mol 102 unq 0 iso 0 dist 8.07962 5.31804 7.58908 5.65142 7.18097 6.51368 numMergedOcc 0
33 mol 102 unq 0 iso 1 dist 7.58908 5.31804 8.07962 6.51368 7.18097 5.65142 numMergedOcc 0
34 mol 103 unq 0 iso 0 dist 8.9889 10.3429 6.67575 7.19943 8.21549 5.71094 numMergedOcc 0
35 mol 103 unq 0 iso 1 dist 6.67575 10.3429 8.9889 5.71094 8.21549 7.19943 numMergedOcc 0
36 mol 108 unq 0 iso 0 dist 5.52402 7.80411 6.79804 10.5684 7.96745 14.1381 numMergedOcc 0
37 mol 108 unq 0 iso 1 dist 6.79804 7.80411 5.52402 14.1381 7.96745 10.5684 numMergedOcc 0
38 mol 108 unq 1 iso 0 dist 5.52402 7.80411 6.79804 13.7981 9.71442 9.46026 numMergedOcc 0
39 mol 108 unq 1 iso 1 dist 6.79804 7.80411 5.52402 9.46026 9.71442 13.7981 numMergedOcc 0
40 mol 108 unq 2 iso 0 dist 5.52402 7.80411 6.79804 5.69391 8.99379 11.3762 numMergedOcc 0
41 mol 108 unq 2 iso 1 dist 6.79804 7.80411 5.52402 11.3762 8.99379 5.69391 numMergedOcc 0
42 mol 197 unq 0 iso 0 dist 6.50727 5.3979 7.84826 6.35266 9.12641 10.3477 numMergedOcc 0
43 mol 197 unq 0 iso 1 dist 7.84826 5.3979 6.50727 10.3477 9.12641 6.35266 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 4.75866 9.52032 7.87072 4.49604 7.92537 12.3159 numMergedOcc 0
45 mol 279 unq 0 iso 1 dist 7.87072 9.52032 4.75866 12.3159 7.92537 4.49604 numMergedOcc 0
46 mol 280 unq 0 iso 0 dist 7.10723 9.41086 6.8664 5.04137 8.66271 6.84622 numMergedOcc 0
47 mol 280 unq 0 iso 1 dist 6.8664 9.41086 7.10723 6.84622 8.66271 5.04137 numMergedOcc 0
