0 mol 21 unq 0 iso 0 dist 6.29808 7.46409 5.3862 8.07673 9.90334 10.4809 numMergedOcc 0
1 mol 21 unq 0 iso 1 dist 7.46409 6.29808 5.3862 8.07673 10.4809 9.90334 numMergedOcc 0
2 mol 21 unq 1 iso 0 dist 6.29808 8.99131 10.2516 8.07673 9.90334 4.70114 numMergedOcc 0
3 mol 21 unq 1 iso 1 dist 8.99131 6.29808 10.2516 8.07673 4.70114 9.90334 numMergedOcc 0
4 mol 21 unq 1 iso 0 dist 7.46409 8.99131 8.34961 8.07673 10.4809 4.70114 numMergedOcc 0
5 mol 21 unq 1 iso 1 dist 8.99131 7.46409 8.34961 8.07673 4.70114 10.4809 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.40189 5.22014 3.73215 6.5268 5.75365 3.67206 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 5.22014 6.40189 3.73215 6.5268 3.67206 5.75365 numMergedOcc 0
8 mol 33 unq 0 iso 0 dist 8.66089 6.9181 5.83486 4.41045 7.49744 3.22951 numMergedOcc 0
9 mol 33 unq 0 iso 1 dist 6.9181 8.66089 5.83486 4.41045 3.22951 7.49744 numMergedOcc 0
10 mol 33 unq 1 iso 0 dist 8.66089 5.84349 10.7004 4.41045 7.49744 3.60218 numMergedOcc 0
11 mol 33 unq 1 iso 1 dist 5.84349 8.66089 10.7004 4.41045 3.60218 7.49744 numMergedOcc 0
12 mol 33 unq 1 iso 0 dist 6.9181 5.84349 5.58017 4.41045 3.22951 3.60218 numMergedOcc 0
13 mol 33 unq 1 iso 1 dist 5.84349 6.9181 5.58017 4.41045 3.60218 3.22951 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 8.26586 9.76234 7.13086 9.57292 4.97562 8.52877 numMergedOcc 0
15 mol 58 unq 0 iso 1 dist 9.76234 8.26586 7.13086 9.57292 8.52877 4.97562 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 8.7452 9.15081 5.92995 9.86131 3.48199 4.0452 numMergedOcc 0
17 mol 79 unq 0 iso 1 dist 9.15081 8.7452 5.92995 9.86131 4.0452 3.48199 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 8.7452 9.15081 5.92995 6.75985 5.73949 3.12382 numMergedOcc 0
19 mol 79 unq 1 iso 1 dist 9.15081 8.7452 5.92995 6.75985 3.12382 5.73949 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 6.24296 6.83218 3.78063 8.15861 3.65186 7.00044 numMergedOcc 0
21 mol 85 unq 0 iso 1 dist 6.83218 6.24296 3.78063 8.15861 7.00044 3.65186 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 6.24296 6.83218 3.78063 9.27814 14.6387 15.2529 numMergedOcc 0
23 mol 85 unq 1 iso 1 dist 6.83218 6.24296 3.78063 9.27814 15.2529 14.6387 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 9.61144 6.13521 6.02822 8.65162 8.74506 3.70642 numMergedOcc 0
25 mol 92 unq 0 iso 1 dist 6.13521 9.61144 6.02822 8.65162 3.70642 8.74506 numMergedOcc 0
26 mol 93 unq 0 iso 0 dist 9.43355 5.64141 5.21654 8.61597 13.6138 12.3588 numMergedOcc 0
27 mol 93 unq 0 iso 1 dist 5.64141 9.43355 5.21654 8.61597 12.3588 13.6138 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 9.43355 5.46186 13.3531 8.61597 13.6138 4.98621 numMergedOcc 0
29 mol 93 unq 1 iso 1 dist 5.46186 9.43355 13.3531 8.61597 4.98621 13.6138 numMergedOcc 0
30 mol 93 unq 1 iso 0 dist 5.64141 5.46186 10.7398 8.61597 12.3588 4.98621 numMergedOcc 0
31 mol 93 unq 1 iso 1 dist 5.46186 5.64141 10.7398 8.61597 4.98621 12.3588 numMergedOcc 0
32 mol 109 unq 0 iso 0 dist 5.93561 5.33967 7.49425 5.81859 9.79375 3.54756 numMergedOcc 0
33 mol 109 unq 0 iso 1 dist 5.33967 5.93561 7.49425 5.81859 3.54756 9.79375 numMergedOcc 0
34 mol 129 unq 0 iso 0 dist 8.4375 8.62413 5.94312 8.42277 12.5711 12.7725 numMergedOcc 0
35 mol 129 unq 0 iso 1 dist 8.62413 8.4375 5.94312 8.42277 12.7725 12.5711 numMergedOcc 0
36 mol 129 unq 1 iso 0 dist 8.4375 8.62413 5.94312 6.26653 9.49478 10.2785 numMergedOcc 0
37 mol 129 unq 1 iso 1 dist 8.62413 8.4375 5.94312 6.26653 10.2785 9.49478 numMergedOcc 0
38 mol 129 unq 2 iso 0 dist 8.4375 6.93102 5.35495 8.42277 12.5711 9.39617 numMergedOcc 0
39 mol 129 unq 2 iso 1 dist 6.93102 8.4375 5.35495 8.42277 9.39617 12.5711 numMergedOcc 0
40 mol 129 unq 3 iso 0 dist 8.4375 6.93102 5.35495 6.26653 9.49478 6.48525 numMergedOcc 0
41 mol 129 unq 3 iso 1 dist 6.93102 8.4375 5.35495 6.26653 6.48525 9.49478 numMergedOcc 0
42 mol 129 unq 2 iso 0 dist 8.62413 6.93102 9.74141 8.42277 12.7725 9.39617 numMergedOcc 0
43 mol 129 unq 2 iso 1 dist 6.93102 8.62413 9.74141 8.42277 9.39617 12.7725 numMergedOcc 0
44 mol 129 unq 3 iso 0 dist 8.62413 6.93102 9.74141 6.26653 10.2785 6.48525 numMergedOcc 0
45 mol 129 unq 3 iso 1 dist 6.93102 8.62413 9.74141 6.26653 6.48525 10.2785 numMergedOcc 0
46 mol 292 unq 0 iso 0 dist 9.65996 9.13412 4.99426 9.15937 5.36842 3.08474 numMergedOcc 0
47 mol 292 unq 0 iso 1 dist 9.13412 9.65996 4.99426 9.15937 3.08474 5.36842 numMergedOcc 0
