0 mol 1 unq 0 iso 0 dist 9.60615 11.9784 6.86701 8.5245 7.27254 12.7486 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.54282 7.72477 9.12845 9.77186 6.38243 5.30734 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 5.19462 7.23774 6.66407 7.56926 7.24352 5.64171 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.65122 14.1823 9.03564 7.55377 7.06146 10.1082 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 4.88863 5.19333 6.17207 5.6194 9.45329 9.32986 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 8.2282 5.57159 6.17207 13.515 9.45329 9.32986 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.05612 6.40193 9.3948 11.9115 7.27506 14.484 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.91835 7.57533 9.64383 9.84971 6.83746 8.76845 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.91835 7.57533 9.64383 7.22811 9.14707 11.7715 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 9.91835 11.7846 7.54889 9.84971 6.83746 13.9572 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 9.91835 11.7846 7.54889 7.22811 9.14707 13.1975 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 9.91835 15.0999 7.78931 9.84971 6.83746 14.5341 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 9.91835 15.0999 7.78931 7.22811 9.14707 15.9953 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 9.29692 10.9992 5.10496 17.2555 8.75597 7.32662 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 9.29692 10.9992 5.10496 6.01639 9.18457 12.3881 numMergedOcc 0
15 mol 98 unq 8 iso 0 dist 9.29692 6.16706 5.92242 17.2555 8.75597 13.4985 numMergedOcc 0
16 mol 98 unq 9 iso 0 dist 9.29692 6.16706 5.92242 6.01639 9.18457 7.89505 numMergedOcc 0
17 mol 98 unq 10 iso 0 dist 9.29692 14.2079 5.2571 17.2555 8.75597 6.934 numMergedOcc 0
18 mol 98 unq 11 iso 0 dist 9.29692 14.2079 5.2571 6.01639 9.18457 13.1975 numMergedOcc 0
19 mol 98 unq 12 iso 0 dist 9.29692 17.8653 8.7497 17.2555 8.75597 7.17433 numMergedOcc 0
20 mol 98 unq 13 iso 0 dist 9.29692 17.8653 8.7497 6.01639 9.18457 15.9953 numMergedOcc 0
21 mol 98 unq 14 iso 0 dist 7.6935 9.00814 9.64383 12.5762 6.83746 8.76845 numMergedOcc 0
22 mol 98 unq 15 iso 0 dist 7.6935 9.00814 9.64383 12.8467 9.14707 11.7715 numMergedOcc 0
23 mol 98 unq 16 iso 0 dist 7.6935 5.65902 7.54889 12.5762 6.83746 13.9572 numMergedOcc 0
24 mol 98 unq 17 iso 0 dist 7.6935 5.65902 7.54889 12.8467 9.14707 13.1975 numMergedOcc 0
25 mol 98 unq 18 iso 0 dist 7.6935 7.85074 7.78931 12.5762 6.83746 14.5341 numMergedOcc 0
26 mol 98 unq 19 iso 0 dist 7.6935 7.85074 7.78931 12.8467 9.14707 15.9953 numMergedOcc 0
27 mol 98 unq 20 iso 0 dist 8.71558 13.2064 5.10496 12.4403 8.75597 7.32662 numMergedOcc 0
28 mol 98 unq 21 iso 0 dist 8.71558 13.2064 5.10496 12.8467 9.18457 12.3881 numMergedOcc 0
29 mol 98 unq 22 iso 0 dist 8.71558 10.7799 5.92242 12.4403 8.75597 13.4985 numMergedOcc 0
30 mol 98 unq 23 iso 0 dist 8.71558 10.7799 5.92242 12.8467 9.18457 7.89505 numMergedOcc 0
31 mol 98 unq 24 iso 0 dist 8.71558 5.65902 5.2571 12.4403 8.75597 6.934 numMergedOcc 0
32 mol 98 unq 25 iso 0 dist 8.71558 5.65902 5.2571 12.8467 9.18457 13.1975 numMergedOcc 0
33 mol 98 unq 26 iso 0 dist 8.71558 7.85074 8.7497 12.4403 8.75597 7.17433 numMergedOcc 0
34 mol 98 unq 27 iso 0 dist 8.71558 7.85074 8.7497 12.8467 9.18457 15.9953 numMergedOcc 0
35 mol 105 unq 0 iso 0 dist 9.74162 6.06944 9.16718 6.17436 7.44838 7.33596 numMergedOcc 0
36 mol 105 unq 1 iso 0 dist 9.74162 10.5797 7.94633 6.17436 7.44838 8.22667 numMergedOcc 0
37 mol 112 unq 0 iso 0 dist 9.74956 9.72682 7.7988 5.45832 7.34602 7.83771 numMergedOcc 0
38 mol 112 unq 1 iso 0 dist 9.74956 14.4313 9.40824 5.45832 7.34602 11.4843 numMergedOcc 0
39 mol 112 unq 2 iso 0 dist 9.74956 11.8409 4.22363 5.45832 7.34602 9.97869 numMergedOcc 0
40 mol 112 unq 3 iso 0 dist 6.93938 11.3081 7.7988 5.24676 7.34602 7.83771 numMergedOcc 0
41 mol 112 unq 4 iso 0 dist 6.93938 14.7352 9.40824 5.24676 7.34602 11.4843 numMergedOcc 0
42 mol 112 unq 5 iso 0 dist 6.93938 10.7105 4.22363 5.24676 7.34602 9.97869 numMergedOcc 0
43 mol 114 unq 0 iso 0 dist 6.68983 6.29844 5.7144 8.0239 7.59156 5.6074 numMergedOcc 0
44 mol 119 unq 0 iso 0 dist 9.9292 14.5985 8.95212 11.298 9.57341 13.52 numMergedOcc 0
45 mol 119 unq 1 iso 0 dist 9.9292 6.92096 6.99446 11.298 9.57341 4.99056 numMergedOcc 0
46 mol 119 unq 2 iso 0 dist 9.9292 11.7253 7.64052 11.298 9.57341 3.78311 numMergedOcc 0
47 mol 222 unq 0 iso 0 dist 7.17095 5.15194 6.74196 7.45292 7.97027 6.42798 numMergedOcc 0
48 mol 284 unq 0 iso 0 dist 7.21255 8.18513 9.19921 13.1762 8.63754 10.8266 numMergedOcc 0
49 mol 284 unq 1 iso 0 dist 7.21255 5.32637 6.41303 13.1762 8.63754 8.63375 numMergedOcc 0
50 mol 292 unq 0 iso 0 dist 7.18462 9.32514 9.46442 5.30748 9.2558 9.84292 numMergedOcc 0
51 mol 292 unq 1 iso 0 dist 6.66342 12.1831 9.9182 5.30748 9.84946 16.2289 numMergedOcc 0
52 mol 292 unq 2 iso 0 dist 6.66342 9.32514 7.30758 5.30748 9.84946 9.84292 numMergedOcc 0
53 mol 292 unq 3 iso 0 dist 6.66342 4.27448 9.10788 5.30748 9.84946 8.96137 numMergedOcc 0
