0 mol 26 unq 0 iso 0 dist 8.62527 3.30063 8.36742 8.44515 8.10028 6.92384 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 8.62527 8.44515 8.10028 3.30063 8.36742 6.92384 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 5.68877 5.22301 9.36493 9.36704 9.0665 7.94432 numMergedOcc 0
3 mol 34 unq 0 iso 1 dist 5.68877 9.36704 9.0665 5.22301 9.36493 7.94432 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 5.68877 5.22301 9.36493 12.1168 7.07773 13.9162 numMergedOcc 0
5 mol 34 unq 1 iso 1 dist 5.68877 12.1168 7.07773 5.22301 9.36493 13.9162 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 5.68877 9.36704 9.0665 12.1168 7.07773 9.25715 numMergedOcc 0
7 mol 34 unq 1 iso 1 dist 5.68877 12.1168 7.07773 9.36704 9.0665 9.25715 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 6.04611 7.21901 6.50622 5.83035 4.45433 3.46822 numMergedOcc 0
9 mol 78 unq 0 iso 1 dist 6.04611 5.83035 4.45433 7.21901 6.50622 3.46822 numMergedOcc 0
10 mol 83 unq 0 iso 0 dist 7.88704 3.71967 9.98298 6.15397 7.55036 4.73405 numMergedOcc 0
11 mol 83 unq 0 iso 1 dist 7.88704 6.15397 7.55036 3.71967 9.98298 4.73405 numMergedOcc 0
12 mol 83 unq 1 iso 0 dist 7.88704 3.71967 9.98298 13.8225 8.32248 14.1543 numMergedOcc 0
13 mol 83 unq 1 iso 1 dist 7.88704 13.8225 8.32248 3.71967 9.98298 14.1543 numMergedOcc 0
14 mol 83 unq 1 iso 0 dist 7.88704 6.15397 7.55036 13.8225 8.32248 9.89867 numMergedOcc 0
15 mol 83 unq 1 iso 1 dist 7.88704 13.8225 8.32248 6.15397 7.55036 9.89867 numMergedOcc 0
16 mol 83 unq 2 iso 0 dist 6.55352 8.67453 9.98298 4.7741 7.55036 4.73405 numMergedOcc 0
17 mol 83 unq 2 iso 1 dist 6.55352 4.7741 7.55036 8.67453 9.98298 4.73405 numMergedOcc 0
18 mol 83 unq 3 iso 0 dist 6.55352 8.67453 9.98298 5.61725 8.32248 14.1543 numMergedOcc 0
19 mol 83 unq 3 iso 1 dist 6.55352 5.61725 8.32248 8.67453 9.98298 14.1543 numMergedOcc 0
20 mol 83 unq 3 iso 0 dist 6.55352 4.7741 7.55036 5.61725 8.32248 9.89867 numMergedOcc 0
21 mol 83 unq 3 iso 1 dist 6.55352 5.61725 8.32248 4.7741 7.55036 9.89867 numMergedOcc 0
22 mol 83 unq 4 iso 0 dist 9.05437 16.9252 9.98298 12.9907 7.55036 4.73405 numMergedOcc 0
23 mol 83 unq 4 iso 1 dist 9.05437 12.9907 7.55036 16.9252 9.98298 4.73405 numMergedOcc 0
24 mol 83 unq 5 iso 0 dist 9.05437 16.9252 9.98298 3.91658 8.32248 14.1543 numMergedOcc 0
25 mol 83 unq 5 iso 1 dist 9.05437 3.91658 8.32248 16.9252 9.98298 14.1543 numMergedOcc 0
26 mol 83 unq 5 iso 0 dist 9.05437 12.9907 7.55036 3.91658 8.32248 9.89867 numMergedOcc 0
27 mol 83 unq 5 iso 1 dist 9.05437 3.91658 8.32248 12.9907 7.55036 9.89867 numMergedOcc 0
28 mol 83 unq 6 iso 0 dist 9.00625 16.7395 9.98298 14.1991 7.55036 4.73405 numMergedOcc 0
29 mol 83 unq 6 iso 1 dist 9.00625 14.1991 7.55036 16.7395 9.98298 4.73405 numMergedOcc 0
30 mol 83 unq 7 iso 0 dist 9.00625 16.7395 9.98298 8.33755 8.32248 14.1543 numMergedOcc 0
31 mol 83 unq 7 iso 1 dist 9.00625 8.33755 8.32248 16.7395 9.98298 14.1543 numMergedOcc 0
32 mol 83 unq 7 iso 0 dist 9.00625 14.1991 7.55036 8.33755 8.32248 9.89867 numMergedOcc 0
33 mol 83 unq 7 iso 1 dist 9.00625 8.33755 8.32248 14.1991 7.55036 9.89867 numMergedOcc 0
34 mol 141 unq 0 iso 0 dist 8.53875 12.4943 7.43045 6 7.74168 10.0469 numMergedOcc 0
35 mol 141 unq 0 iso 1 dist 8.53875 6 7.74168 12.4943 7.43045 10.0469 numMergedOcc 0
36 mol 141 unq 1 iso 0 dist 8.53875 12.4943 7.43045 8.90391 8.16507 8.99845 numMergedOcc 0
37 mol 141 unq 1 iso 1 dist 8.53875 8.90391 8.16507 12.4943 7.43045 8.99845 numMergedOcc 0
38 mol 141 unq 1 iso 0 dist 8.53875 6 7.74168 8.90391 8.16507 3.02458 numMergedOcc 0
39 mol 141 unq 1 iso 1 dist 8.53875 8.90391 8.16507 6 7.74168 3.02458 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.14877 8.75517 8.07518 3.59953 7.39733 5.16472 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 9.14877 3.59953 7.39733 8.75517 8.07518 5.16472 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 8.54588 15.1218 9.08818 4.77079 7.93563 11.7842 numMergedOcc 0
43 mol 186 unq 0 iso 1 dist 8.54588 4.77079 7.93563 15.1218 9.08818 11.7842 numMergedOcc 0
44 mol 186 unq 1 iso 0 dist 8.54588 15.1218 9.08818 7.71219 5.70056 7.59605 numMergedOcc 0
45 mol 186 unq 1 iso 1 dist 8.54588 7.71219 5.70056 15.1218 9.08818 7.59605 numMergedOcc 0
46 mol 186 unq 1 iso 0 dist 8.54588 4.77079 7.93563 7.71219 5.70056 4.62459 numMergedOcc 0
47 mol 186 unq 1 iso 1 dist 8.54588 7.71219 5.70056 4.77079 7.93563 4.62459 numMergedOcc 0
48 mol 220 unq 0 iso 0 dist 6.64341 8.85684 5.04072 6.43635 8.67956 10.2093 numMergedOcc 0
49 mol 220 unq 0 iso 1 dist 6.64341 6.43635 8.67956 8.85684 5.04072 10.2093 numMergedOcc 0
50 mol 220 unq 1 iso 0 dist 7.31315 7.67001 5.04072 9.04953 8.67956 10.2093 numMergedOcc 0
51 mol 220 unq 1 iso 1 dist 7.31315 9.04953 8.67956 7.67001 5.04072 10.2093 numMergedOcc 0
52 mol 260 unq 0 iso 0 dist 6.23198 3.43711 4.20369 5.84323 6.4165 3.57483 numMergedOcc 0
53 mol 260 unq 0 iso 1 dist 6.23198 5.84323 6.4165 3.43711 4.20369 3.57483 numMergedOcc 0
54 mol 260 unq 1 iso 0 dist 8.82216 7.63469 4.20369 8.31902 6.4165 3.57483 numMergedOcc 0
55 mol 260 unq 1 iso 1 dist 8.82216 8.31902 6.4165 7.63469 4.20369 3.57483 numMergedOcc 0
56 mol 278 unq 0 iso 0 dist 9.66477 7.67795 5.35362 8.44569 8.22364 4.88683 numMergedOcc 0
57 mol 278 unq 0 iso 1 dist 9.66477 8.44569 8.22364 7.67795 5.35362 4.88683 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 7.35799 11.2104 5.76793 9.14234 7.72276 9.77541 numMergedOcc 0
59 mol 279 unq 0 iso 1 dist 7.35799 9.14234 7.72276 11.2104 5.76793 9.77541 numMergedOcc 0
