0 mol 11 unq 0 iso 0 dist 9.42607 6.20956 6.79033 5.59847 5.23547 6.74026 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 6.20956 9.42607 6.79033 5.59847 6.74026 5.23547 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 9.4649 6.45965 13.0377 8.1133 12.14 10.8265 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 6.45965 9.4649 13.0377 8.1133 10.8265 12.14 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 9.4649 6.45965 13.0377 8.44727 12.9864 3.91445 numMergedOcc 0
5 mol 18 unq 1 iso 1 dist 6.45965 9.4649 13.0377 8.44727 3.91445 12.9864 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 9.62492 8.67226 8.13992 8.98326 6.3965 4.76485 numMergedOcc 0
7 mol 20 unq 0 iso 1 dist 8.67226 9.62492 8.13992 8.98326 4.76485 6.3965 numMergedOcc 0
8 mol 33 unq 0 iso 0 dist 5.32407 6.53102 3.81436 9.67585 9.3686 8.49894 numMergedOcc 0
9 mol 33 unq 0 iso 1 dist 6.53102 5.32407 3.81436 9.67585 8.49894 9.3686 numMergedOcc 0
10 mol 33 unq 1 iso 0 dist 5.32407 7.76575 4.59375 9.67585 9.3686 5.75951 numMergedOcc 0
11 mol 33 unq 1 iso 1 dist 7.76575 5.32407 4.59375 9.67585 5.75951 9.3686 numMergedOcc 0
12 mol 33 unq 2 iso 0 dist 5.32407 9.74394 8.78909 9.67585 9.3686 3.82391 numMergedOcc 0
13 mol 33 unq 2 iso 1 dist 9.74394 5.32407 8.78909 9.67585 3.82391 9.3686 numMergedOcc 0
14 mol 33 unq 1 iso 0 dist 6.53102 7.76575 3.8653 9.67585 8.49894 5.75951 numMergedOcc 0
15 mol 33 unq 1 iso 1 dist 7.76575 6.53102 3.8653 9.67585 5.75951 8.49894 numMergedOcc 0
16 mol 33 unq 2 iso 0 dist 6.53102 9.74394 9.45612 9.67585 8.49894 3.82391 numMergedOcc 0
17 mol 33 unq 2 iso 1 dist 9.74394 6.53102 9.45612 9.67585 3.82391 8.49894 numMergedOcc 0
18 mol 33 unq 2 iso 0 dist 7.76575 9.74394 6.05212 9.67585 5.75951 3.82391 numMergedOcc 0
19 mol 33 unq 2 iso 1 dist 9.74394 7.76575 6.05212 9.67585 3.82391 5.75951 numMergedOcc 0
20 mol 76 unq 0 iso 0 dist 7.98824 9.42329 3.94577 9.28726 6.69911 3.94216 numMergedOcc 0
21 mol 76 unq 0 iso 1 dist 9.42329 7.98824 3.94577 9.28726 3.94216 6.69911 numMergedOcc 0
22 mol 103 unq 0 iso 0 dist 9.71805 4.9418 8.6162 5.62245 6.28696 3.86836 numMergedOcc 0
23 mol 103 unq 0 iso 1 dist 4.9418 9.71805 8.6162 5.62245 3.86836 6.28696 numMergedOcc 0
24 mol 103 unq 1 iso 0 dist 9.71805 5.7953 8.84187 5.62245 6.28696 8.52805 numMergedOcc 0
25 mol 103 unq 1 iso 1 dist 5.7953 9.71805 8.84187 5.62245 8.52805 6.28696 numMergedOcc 0
26 mol 103 unq 1 iso 0 dist 4.9418 5.7953 7.44304 5.62245 3.86836 8.52805 numMergedOcc 0
27 mol 103 unq 1 iso 1 dist 5.7953 4.9418 7.44304 5.62245 8.52805 3.86836 numMergedOcc 0
28 mol 128 unq 0 iso 0 dist 5.32517 7.6275 3.57533 6.78833 5.62774 4.98024 numMergedOcc 0
29 mol 128 unq 0 iso 1 dist 7.6275 5.32517 3.57533 6.78833 4.98024 5.62774 numMergedOcc 0
30 mol 128 unq 1 iso 0 dist 5.32517 7.4738 10.0842 6.78833 5.62774 6.84628 numMergedOcc 0
31 mol 128 unq 1 iso 1 dist 7.4738 5.32517 10.0842 6.78833 6.84628 5.62774 numMergedOcc 0
32 mol 128 unq 2 iso 0 dist 5.32517 8.88867 11.7069 6.78833 5.62774 8.84157 numMergedOcc 0
33 mol 128 unq 2 iso 1 dist 8.88867 5.32517 11.7069 6.78833 8.84157 5.62774 numMergedOcc 0
34 mol 128 unq 3 iso 0 dist 5.32517 7.04282 8.45681 6.78833 5.62774 4.99095 numMergedOcc 0
35 mol 128 unq 3 iso 1 dist 7.04282 5.32517 8.45681 6.78833 4.99095 5.62774 numMergedOcc 0
36 mol 128 unq 1 iso 0 dist 7.6275 7.4738 11.283 6.78833 4.98024 6.84628 numMergedOcc 0
37 mol 128 unq 1 iso 1 dist 7.4738 7.6275 11.283 6.78833 6.84628 4.98024 numMergedOcc 0
38 mol 128 unq 2 iso 0 dist 7.6275 8.88867 11.0489 6.78833 4.98024 8.84157 numMergedOcc 0
39 mol 128 unq 2 iso 1 dist 8.88867 7.6275 11.0489 6.78833 8.84157 4.98024 numMergedOcc 0
40 mol 128 unq 3 iso 0 dist 7.6275 7.04282 7.50392 6.78833 4.98024 4.99095 numMergedOcc 0
41 mol 128 unq 3 iso 1 dist 7.04282 7.6275 7.50392 6.78833 4.99095 4.98024 numMergedOcc 0
42 mol 128 unq 2 iso 0 dist 7.4738 8.88867 9.43368 6.78833 6.84628 8.84157 numMergedOcc 0
43 mol 128 unq 2 iso 1 dist 8.88867 7.4738 9.43368 6.78833 8.84157 6.84628 numMergedOcc 0
44 mol 128 unq 3 iso 0 dist 7.4738 7.04282 7.72018 6.78833 6.84628 4.99095 numMergedOcc 0
45 mol 128 unq 3 iso 1 dist 7.04282 7.4738 7.72018 6.78833 4.99095 6.84628 numMergedOcc 0
46 mol 128 unq 3 iso 0 dist 8.88867 7.04282 3.93975 6.78833 8.84157 4.99095 numMergedOcc 0
47 mol 128 unq 3 iso 1 dist 7.04282 8.88867 3.93975 6.78833 4.99095 8.84157 numMergedOcc 0
48 mol 220 unq 0 iso 0 dist 9.39546 4.17978 6.49745 7.71199 5.9986 4.94998 numMergedOcc 0
49 mol 220 unq 0 iso 1 dist 4.17978 9.39546 6.49745 7.71199 4.94998 5.9986 numMergedOcc 0
50 mol 233 unq 0 iso 0 dist 8.36772 8.83541 9.80429 9.00218 6.88396 8.71119 numMergedOcc 0
51 mol 233 unq 0 iso 1 dist 8.83541 8.36772 9.80429 9.00218 8.71119 6.88396 numMergedOcc 0
52 mol 233 unq 1 iso 0 dist 8.36772 8.83541 9.80429 6.0751 6.41724 10.8172 numMergedOcc 0
53 mol 233 unq 1 iso 1 dist 8.83541 8.36772 9.80429 6.0751 10.8172 6.41724 numMergedOcc 0
54 mol 233 unq 2 iso 0 dist 8.36772 7.55878 8.84841 9.00218 6.88396 3.66075 numMergedOcc 0
55 mol 233 unq 2 iso 1 dist 7.55878 8.36772 8.84841 9.00218 3.66075 6.88396 numMergedOcc 0
56 mol 233 unq 3 iso 0 dist 8.36772 7.55878 8.84841 6.0751 6.41724 3.98113 numMergedOcc 0
57 mol 233 unq 3 iso 1 dist 7.55878 8.36772 8.84841 6.0751 3.98113 6.41724 numMergedOcc 0
58 mol 233 unq 2 iso 0 dist 8.83541 7.55878 9.74377 9.00218 8.71119 3.66075 numMergedOcc 0
59 mol 233 unq 2 iso 1 dist 7.55878 8.83541 9.74377 9.00218 3.66075 8.71119 numMergedOcc 0
60 mol 233 unq 3 iso 0 dist 8.83541 7.55878 9.74377 6.0751 10.8172 3.98113 numMergedOcc 0
61 mol 233 unq 3 iso 1 dist 7.55878 8.83541 9.74377 6.0751 3.98113 10.8172 numMergedOcc 0
62 mol 260 unq 0 iso 0 dist 7.46 6.71406 5.43735 6.79386 9.22751 5.47193 numMergedOcc 0
63 mol 260 unq 0 iso 1 dist 6.71406 7.46 5.43735 6.79386 5.47193 9.22751 numMergedOcc 0
64 mol 260 unq 1 iso 0 dist 7.46 6.71406 5.43735 6.19564 6.73886 5.38205 numMergedOcc 0
65 mol 260 unq 1 iso 1 dist 6.71406 7.46 5.43735 6.19564 5.38205 6.73886 numMergedOcc 0
