0 mol 10 unq 0 iso 0 dist 8.97985 6.97549 8.37646 6.47424 8.31255 8.53083 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 8.97985 6.47424 8.31255 6.97549 8.37646 8.53083 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.7452 9.86131 3.48199 6.75985 5.73949 5.66184 numMergedOcc 0
3 mol 79 unq 0 iso 1 dist 8.7452 6.75985 5.73949 9.86131 3.48199 5.66184 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 9.15081 9.86131 4.0452 6.75985 3.12382 5.66184 numMergedOcc 0
5 mol 79 unq 1 iso 1 dist 9.15081 6.75985 3.12382 9.86131 4.0452 5.66184 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 6.24296 8.15861 3.65186 9.27814 14.6387 16.3912 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 6.24296 9.27814 14.6387 8.15861 3.65186 16.3912 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.83218 8.15861 7.00044 9.27814 15.2529 16.3912 numMergedOcc 0
9 mol 85 unq 1 iso 1 dist 6.83218 9.27814 15.2529 8.15861 7.00044 16.3912 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 6.99944 7.65919 6.48852 8.55413 3.43966 9.76537 numMergedOcc 0
11 mol 116 unq 0 iso 1 dist 6.99944 8.55413 3.43966 7.65919 6.48852 9.76537 numMergedOcc 0
12 mol 123 unq 0 iso 0 dist 6.49766 8.09682 8.42496 8.35926 10.3919 10.2185 numMergedOcc 0
13 mol 123 unq 0 iso 1 dist 6.49766 8.35926 10.3919 8.09682 8.42496 10.2185 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 6.49766 8.09682 8.42496 7.41568 3.3389 8.29136 numMergedOcc 0
15 mol 123 unq 1 iso 1 dist 6.49766 7.41568 3.3389 8.09682 8.42496 8.29136 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 6.49766 8.35926 10.3919 7.41568 3.3389 13.0033 numMergedOcc 0
17 mol 123 unq 1 iso 1 dist 6.49766 7.41568 3.3389 8.35926 10.3919 13.0033 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 8.4375 8.42277 12.5711 6.26653 9.49478 3.11116 numMergedOcc 0
19 mol 129 unq 0 iso 1 dist 8.4375 6.26653 9.49478 8.42277 12.5711 3.11116 numMergedOcc 0
20 mol 129 unq 1 iso 0 dist 8.62413 8.42277 12.7725 6.26653 10.2785 3.11116 numMergedOcc 0
21 mol 129 unq 1 iso 1 dist 8.62413 6.26653 10.2785 8.42277 12.7725 3.11116 numMergedOcc 0
22 mol 129 unq 2 iso 0 dist 6.93102 8.42277 9.39617 6.26653 6.48525 3.11116 numMergedOcc 0
23 mol 129 unq 2 iso 1 dist 6.93102 6.26653 6.48525 8.42277 9.39617 3.11116 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 8.10157 5.39386 3.7729 5.79819 6.34165 3.00464 numMergedOcc 0
25 mol 147 unq 0 iso 1 dist 8.10157 5.79819 6.34165 5.39386 3.7729 3.00464 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 8.10157 5.39386 3.7729 6.03024 10.7999 7.05599 numMergedOcc 0
27 mol 147 unq 1 iso 1 dist 8.10157 6.03024 10.7999 5.39386 3.7729 7.05599 numMergedOcc 0
28 mol 147 unq 1 iso 0 dist 8.10157 5.79819 6.34165 6.03024 10.7999 5.61172 numMergedOcc 0
29 mol 147 unq 1 iso 1 dist 8.10157 6.03024 10.7999 5.79819 6.34165 5.61172 numMergedOcc 0
30 mol 184 unq 0 iso 0 dist 8.90926 7.42696 8.05795 5.86468 9.99712 11.7423 numMergedOcc 0
31 mol 184 unq 0 iso 1 dist 8.90926 5.86468 9.99712 7.42696 8.05795 11.7423 numMergedOcc 0
32 mol 184 unq 1 iso 0 dist 8.90926 7.42696 8.05795 8.73302 12.1721 9.91264 numMergedOcc 0
33 mol 184 unq 1 iso 1 dist 8.90926 8.73302 12.1721 7.42696 8.05795 9.91264 numMergedOcc 0
34 mol 184 unq 1 iso 0 dist 8.90926 5.86468 9.99712 8.73302 12.1721 8.04915 numMergedOcc 0
35 mol 184 unq 1 iso 1 dist 8.90926 8.73302 12.1721 5.86468 9.99712 8.04915 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 8.73525 9.38235 10.833 8.95509 4.66758 8.55398 numMergedOcc 0
37 mol 204 unq 0 iso 1 dist 8.73525 8.95509 4.66758 9.38235 10.833 8.55398 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 6.58055 7.45508 3.13463 5.79883 11.0087 12.7924 numMergedOcc 0
39 mol 239 unq 0 iso 1 dist 6.58055 5.79883 11.0087 7.45508 3.13463 12.7924 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 9.98518 8.15636 16.9188 7.86292 12.935 6.88819 numMergedOcc 0
41 mol 287 unq 0 iso 1 dist 9.98518 7.86292 12.935 8.15636 16.9188 6.88819 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 9.98518 8.15636 16.9188 7.86292 12.935 6.88819 numMergedOcc 0
43 mol 288 unq 0 iso 1 dist 9.98518 7.86292 12.935 8.15636 16.9188 6.88819 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 9.98518 8.15636 16.9188 7.86292 12.935 6.88819 numMergedOcc 0
45 mol 289 unq 0 iso 1 dist 9.98518 7.86292 12.935 8.15636 16.9188 6.88819 numMergedOcc 0
46 mol 294 unq 0 iso 0 dist 8.26112 8.81999 8.14029 4.83062 8.10518 11.8335 numMergedOcc 0
47 mol 294 unq 0 iso 1 dist 8.26112 4.83062 8.10518 8.81999 8.14029 11.8335 numMergedOcc 0
48 mol 294 unq 1 iso 0 dist 8.26112 8.81999 8.14029 5.18334 7.97558 12.3466 numMergedOcc 0
49 mol 294 unq 1 iso 1 dist 8.26112 5.18334 7.97558 8.81999 8.14029 12.3466 numMergedOcc 0
50 mol 294 unq 1 iso 0 dist 8.26112 4.83062 8.10518 5.18334 7.97558 4.59062 numMergedOcc 0
51 mol 294 unq 1 iso 1 dist 8.26112 5.18334 7.97558 4.83062 8.10518 4.59062 numMergedOcc 0
