0 mol 6 unq 0 iso 0 dist 9.78307 9.87531 8.36949 6.81551 8.8273 6.58426 numMergedOcc 0
1 mol 6 unq 0 iso 1 dist 9.78307 6.81551 8.8273 9.87531 8.36949 6.58426 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 5.58346 12.2435 7.84699 10.362 7.53504 13.6926 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 5.58346 10.362 7.53504 12.2435 7.84699 13.6926 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.10386 12.2435 8.40844 14.2654 7.02351 14.5875 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 9.10386 14.2654 7.02351 12.2435 8.40844 14.5875 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 9.10386 12.2435 8.40844 10.362 8.66342 13.6926 numMergedOcc 0
7 mol 73 unq 2 iso 1 dist 9.10386 10.362 8.66342 12.2435 8.40844 13.6926 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.10386 14.2654 7.02351 10.362 8.66342 12.3241 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 9.10386 10.362 8.66342 14.2654 7.02351 12.3241 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 9.66744 16.9811 7.84699 4.5646 7.53504 13.6926 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 9.66744 4.5646 7.53504 16.9811 7.84699 13.6926 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 8.52942 7.80472 9.29934 6.52017 6.7293 5.19555 numMergedOcc 0
13 mol 86 unq 0 iso 1 dist 8.52942 6.52017 6.7293 7.80472 9.29934 5.19555 numMergedOcc 0
14 mol 86 unq 1 iso 0 dist 7.91639 4.44978 6.7293 8.34552 9.29934 5.19555 numMergedOcc 0
15 mol 86 unq 1 iso 1 dist 7.91639 8.34552 9.29934 4.44978 6.7293 5.19555 numMergedOcc 0
16 mol 102 unq 0 iso 0 dist 8.07962 7.92108 9.61113 4.9259 7.73836 12.0662 numMergedOcc 0
17 mol 102 unq 0 iso 1 dist 8.07962 4.9259 7.73836 7.92108 9.61113 12.0662 numMergedOcc 0
18 mol 102 unq 1 iso 0 dist 7.58908 4.51114 9.61113 9.29865 7.73836 12.0662 numMergedOcc 0
19 mol 102 unq 1 iso 1 dist 7.58908 9.29865 7.73836 4.51114 9.61113 12.0662 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 6.30128 10.8208 9.17909 4.59061 9.37708 15.3111 numMergedOcc 0
21 mol 112 unq 0 iso 1 dist 6.30128 4.59061 9.37708 10.8208 9.17909 15.3111 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 5.82034 6.97601 4.95086 4.59451 8.39524 9.54023 numMergedOcc 0
23 mol 147 unq 0 iso 1 dist 5.82034 4.59451 8.39524 6.97601 4.95086 9.54023 numMergedOcc 0
24 mol 147 unq 1 iso 0 dist 6.56854 5.23184 4.95086 4.8897 8.39524 9.54023 numMergedOcc 0
25 mol 147 unq 1 iso 1 dist 6.56854 4.8897 8.39524 5.23184 4.95086 9.54023 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 9.32657 14.0402 8.21112 11.0093 7.06533 4.4482 numMergedOcc 0
27 mol 205 unq 0 iso 1 dist 9.32657 11.0093 7.06533 14.0402 8.21112 4.4482 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 9.32657 14.0402 8.21112 7.30488 5.94835 11.1418 numMergedOcc 0
29 mol 205 unq 1 iso 1 dist 9.32657 7.30488 5.94835 14.0402 8.21112 11.1418 numMergedOcc 0
30 mol 205 unq 1 iso 0 dist 9.32657 11.0093 7.06533 7.30488 5.94835 10.4273 numMergedOcc 0
31 mol 205 unq 1 iso 1 dist 9.32657 7.30488 5.94835 11.0093 7.06533 10.4273 numMergedOcc 0
32 mol 211 unq 0 iso 0 dist 7.38723 9.3095 9.45365 5.45968 7.15386 4.78922 numMergedOcc 0
33 mol 211 unq 0 iso 1 dist 7.38723 5.45968 7.15386 9.3095 9.45365 4.78922 numMergedOcc 0
34 mol 211 unq 1 iso 0 dist 7.38723 9.3095 9.45365 9.04294 7.73993 8.05917 numMergedOcc 0
35 mol 211 unq 1 iso 1 dist 7.38723 9.04294 7.73993 9.3095 9.45365 8.05917 numMergedOcc 0
36 mol 211 unq 1 iso 0 dist 7.38723 5.45968 7.15386 9.04294 7.73993 5.16245 numMergedOcc 0
37 mol 211 unq 1 iso 1 dist 7.38723 9.04294 7.73993 5.45968 7.15386 5.16245 numMergedOcc 0
38 mol 230 unq 0 iso 0 dist 6.61442 6.22182 5.00735 12.0815 9.27643 10.6003 numMergedOcc 0
39 mol 230 unq 0 iso 1 dist 6.61442 12.0815 9.27643 6.22182 5.00735 10.6003 numMergedOcc 0
40 mol 230 unq 1 iso 0 dist 7.10283 5.18766 5.00735 9.15352 9.27643 10.6003 numMergedOcc 0
41 mol 230 unq 1 iso 1 dist 7.10283 9.15352 9.27643 5.18766 5.00735 10.6003 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 6.11539 5.99119 7.33708 5.10642 4.46314 9.5675 numMergedOcc 0
43 mol 232 unq 0 iso 1 dist 6.11539 5.10642 4.46314 5.99119 7.33708 9.5675 numMergedOcc 0
44 mol 232 unq 1 iso 0 dist 9.71082 14.9027 7.33708 6.19573 4.46314 9.5675 numMergedOcc 0
45 mol 232 unq 1 iso 1 dist 9.71082 6.19573 4.46314 14.9027 7.33708 9.5675 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 8.15217 4.77555 5.38704 6.30262 8.26695 6.61591 numMergedOcc 0
47 mol 274 unq 0 iso 1 dist 8.15217 6.30262 8.26695 4.77555 5.38704 6.61591 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 7.62562 7.60168 7.59956 4.77555 8.05503 11.2805 numMergedOcc 0
49 mol 274 unq 1 iso 1 dist 7.62562 4.77555 8.05503 7.60168 7.59956 11.2805 numMergedOcc 0
50 mol 274 unq 2 iso 0 dist 7.62562 7.60168 7.59956 6.30262 5.59151 10.1205 numMergedOcc 0
51 mol 274 unq 2 iso 1 dist 7.62562 6.30262 5.59151 7.60168 7.59956 10.1205 numMergedOcc 0
52 mol 274 unq 2 iso 0 dist 7.62562 4.77555 8.05503 6.30262 5.59151 6.61591 numMergedOcc 0
53 mol 274 unq 2 iso 1 dist 7.62562 6.30262 5.59151 4.77555 8.05503 6.61591 numMergedOcc 0
54 mol 274 unq 3 iso 0 dist 8.26851 8.77987 7.24089 10.518 9.29005 7.42692 numMergedOcc 0
55 mol 274 unq 3 iso 1 dist 8.26851 10.518 9.29005 8.77987 7.24089 7.42692 numMergedOcc 0
