0 mol 20 unq 0 iso 0 dist 9.14371 7.89835 4.95725 9.94205 5.84217 3.49913 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 9.14371 9.94205 5.84217 7.89835 4.95725 3.49913 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 9.14371 7.89835 4.95725 9.08453 4.18921 6.04869 numMergedOcc 0
3 mol 20 unq 1 iso 1 dist 9.14371 9.08453 4.18921 7.89835 4.95725 6.04869 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 9.14371 9.94205 5.84217 9.08453 4.18921 4.86529 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 9.14371 9.08453 4.18921 9.94205 5.84217 4.86529 numMergedOcc 0
6 mol 21 unq 0 iso 0 dist 7.88429 6.29808 7.08873 7.46409 10.6154 5.3862 numMergedOcc 0
7 mol 21 unq 0 iso 1 dist 7.88429 7.46409 10.6154 6.29808 7.08873 5.3862 numMergedOcc 0
8 mol 21 unq 1 iso 0 dist 7.88429 6.29808 7.08873 8.99131 9.29249 10.2516 numMergedOcc 0
9 mol 21 unq 1 iso 1 dist 7.88429 8.99131 9.29249 6.29808 7.08873 10.2516 numMergedOcc 0
10 mol 21 unq 1 iso 0 dist 7.88429 7.46409 10.6154 8.99131 9.29249 8.34961 numMergedOcc 0
11 mol 21 unq 1 iso 1 dist 7.88429 8.99131 9.29249 7.46409 10.6154 8.34961 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 7.79726 8.52697 5.09159 9.66612 3.73197 3.78041 numMergedOcc 0
13 mol 79 unq 0 iso 1 dist 7.79726 9.66612 3.73197 8.52697 5.09159 3.78041 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 9.10877 9.43355 10.8106 5.64141 7.14217 5.21654 numMergedOcc 0
15 mol 93 unq 0 iso 1 dist 9.10877 5.64141 7.14217 9.43355 10.8106 5.21654 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 9.10877 9.43355 10.8106 5.46186 12.9351 13.3531 numMergedOcc 0
17 mol 93 unq 1 iso 1 dist 9.10877 5.46186 12.9351 9.43355 10.8106 13.3531 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 9.10877 5.64141 7.14217 5.46186 12.9351 10.7398 numMergedOcc 0
19 mol 93 unq 1 iso 1 dist 9.10877 5.46186 12.9351 5.64141 7.14217 10.7398 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 4.31067 5.44426 3.9764 7.63284 7.03983 9.6331 numMergedOcc 0
21 mol 98 unq 0 iso 1 dist 4.31067 7.63284 7.03983 5.44426 3.9764 9.6331 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 5.11612 6.17349 4.48636 9.21978 6.63111 11.044 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 5.11612 9.21978 6.63111 6.17349 4.48636 11.044 numMergedOcc 0
24 mol 129 unq 0 iso 0 dist 7.00798 8.62413 12.1739 6.93102 5.63254 9.74141 numMergedOcc 0
25 mol 129 unq 0 iso 1 dist 7.00798 6.93102 5.63254 8.62413 12.1739 9.74141 numMergedOcc 0
26 mol 129 unq 1 iso 0 dist 7.00798 8.62413 12.1739 8.4375 8.26896 5.94312 numMergedOcc 0
27 mol 129 unq 1 iso 1 dist 7.00798 8.4375 8.26896 8.62413 12.1739 5.94312 numMergedOcc 0
28 mol 129 unq 1 iso 0 dist 7.00798 6.93102 5.63254 8.4375 8.26896 5.35495 numMergedOcc 0
29 mol 129 unq 1 iso 1 dist 7.00798 8.4375 8.26896 6.93102 5.63254 5.35495 numMergedOcc 0
30 mol 156 unq 0 iso 0 dist 6.32876 7.96394 6.18464 8.01381 7.03671 10.5854 numMergedOcc 0
31 mol 156 unq 0 iso 1 dist 6.32876 8.01381 7.03671 7.96394 6.18464 10.5854 numMergedOcc 0
32 mol 156 unq 1 iso 0 dist 9.25604 7.96394 14.3561 8.01381 9.53971 10.5854 numMergedOcc 0
33 mol 156 unq 1 iso 1 dist 9.25604 8.01381 9.53971 7.96394 14.3561 10.5854 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 7.94593 8.03208 5.00913 8.70409 5.42675 3.58402 numMergedOcc 0
35 mol 175 unq 0 iso 1 dist 7.94593 8.70409 5.42675 8.03208 5.00913 3.58402 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 8.84116 9.22792 12.9384 7.85696 9.34394 5.14122 numMergedOcc 0
37 mol 186 unq 0 iso 1 dist 8.84116 7.85696 9.34394 9.22792 12.9384 5.14122 numMergedOcc 0
38 mol 186 unq 1 iso 0 dist 8.84116 9.22792 12.9384 5.00402 9.61375 6.05141 numMergedOcc 0
39 mol 186 unq 1 iso 1 dist 8.84116 5.00402 9.61375 9.22792 12.9384 6.05141 numMergedOcc 0
40 mol 186 unq 2 iso 0 dist 8.84116 9.22792 12.9384 6.17773 6.03488 10.3651 numMergedOcc 0
41 mol 186 unq 2 iso 1 dist 8.84116 6.17773 6.03488 9.22792 12.9384 10.3651 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 8.84116 7.85696 9.34394 5.00402 9.61375 3.51591 numMergedOcc 0
43 mol 186 unq 1 iso 1 dist 8.84116 5.00402 9.61375 7.85696 9.34394 3.51591 numMergedOcc 0
44 mol 186 unq 2 iso 0 dist 8.84116 7.85696 9.34394 6.17773 6.03488 5.93109 numMergedOcc 0
45 mol 186 unq 2 iso 1 dist 8.84116 6.17773 6.03488 7.85696 9.34394 5.93109 numMergedOcc 0
46 mol 186 unq 2 iso 0 dist 8.84116 5.00402 9.61375 6.17773 6.03488 5.07933 numMergedOcc 0
47 mol 186 unq 2 iso 1 dist 8.84116 6.17773 6.03488 5.00402 9.61375 5.07933 numMergedOcc 0
48 mol 186 unq 3 iso 0 dist 8.16369 9.22792 13.6489 7.85696 12.4503 5.14122 numMergedOcc 0
49 mol 186 unq 3 iso 1 dist 8.16369 7.85696 12.4503 9.22792 13.6489 5.14122 numMergedOcc 0
50 mol 186 unq 4 iso 0 dist 8.16369 9.22792 13.6489 5.00402 11.5563 6.05141 numMergedOcc 0
51 mol 186 unq 4 iso 1 dist 8.16369 5.00402 11.5563 9.22792 13.6489 6.05141 numMergedOcc 0
52 mol 186 unq 5 iso 0 dist 8.16369 9.22792 13.6489 6.17773 10.3727 10.3651 numMergedOcc 0
53 mol 186 unq 5 iso 1 dist 8.16369 6.17773 10.3727 9.22792 13.6489 10.3651 numMergedOcc 0
54 mol 186 unq 4 iso 0 dist 8.16369 7.85696 12.4503 5.00402 11.5563 3.51591 numMergedOcc 0
55 mol 186 unq 4 iso 1 dist 8.16369 5.00402 11.5563 7.85696 12.4503 3.51591 numMergedOcc 0
56 mol 186 unq 5 iso 0 dist 8.16369 7.85696 12.4503 6.17773 10.3727 5.93109 numMergedOcc 0
57 mol 186 unq 5 iso 1 dist 8.16369 6.17773 10.3727 7.85696 12.4503 5.93109 numMergedOcc 0
58 mol 186 unq 5 iso 0 dist 8.16369 5.00402 11.5563 6.17773 10.3727 5.07933 numMergedOcc 0
59 mol 186 unq 5 iso 1 dist 8.16369 6.17773 10.3727 5.00402 11.5563 5.07933 numMergedOcc 0
60 mol 222 unq 0 iso 0 dist 7.40081 8.79662 10.0028 6.6497 5.77706 4.79329 numMergedOcc 0
61 mol 222 unq 0 iso 1 dist 7.40081 6.6497 5.77706 8.79662 10.0028 4.79329 numMergedOcc 0
62 mol 235 unq 0 iso 0 dist 8.79626 9.20504 4.5022 6.15704 4.21867 5.20556 numMergedOcc 0
63 mol 235 unq 0 iso 1 dist 8.79626 6.15704 4.21867 9.20504 4.5022 5.20556 numMergedOcc 0
64 mol 243 unq 0 iso 0 dist 4.89168 9.49016 5.71505 8.92798 4.81639 6.26616 numMergedOcc 0
65 mol 243 unq 0 iso 1 dist 4.89168 8.92798 4.81639 9.49016 5.71505 6.26616 numMergedOcc 0
