0 mol 43 unq 0 iso 0 dist 8.06275 15.4384 8.90024 5.5249 8.80331 13.9129 5.33298 8.95682 13.2914 6.18002 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.90024 15.4384 8.06275 13.9129 8.80331 5.5249 13.2914 8.95682 5.33298 6.18002 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.06275 15.4384 8.90024 10.4413 6.20293 5.84171 5.33298 8.95682 13.2914 8.38399 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 8.90024 15.4384 8.06275 5.84171 6.20293 10.4413 13.2914 8.95682 5.33298 8.38399 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.8079 16.7019 8.3558 5.182 7.4729 15.1474 13.832 6.95572 10.2731 9.50382 numMergedOcc 0
5 mol 92 unq 0 iso 1 dist 8.3558 16.7019 9.8079 15.1474 7.4729 5.182 10.2731 6.95572 13.832 9.50382 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.8079 16.7019 8.3558 5.182 7.4729 15.1474 15.33 7.38677 4.66752 12.7565 numMergedOcc 0
7 mol 92 unq 1 iso 1 dist 8.3558 16.7019 9.8079 15.1474 7.4729 5.182 4.66752 7.38677 15.33 12.7565 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 9.8079 16.7019 8.3558 10.571 6.82344 8.66262 13.832 6.95572 10.2731 7.56363 numMergedOcc 0
9 mol 92 unq 2 iso 1 dist 8.3558 16.7019 9.8079 8.66262 6.82344 10.571 10.2731 6.95572 13.832 7.56363 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 9.8079 16.7019 8.3558 10.571 6.82344 8.66262 15.33 7.38677 4.66752 5.91004 numMergedOcc 0
11 mol 92 unq 3 iso 1 dist 8.3558 16.7019 9.8079 8.66262 6.82344 10.571 4.66752 7.38677 15.33 5.91004 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 9.83528 6.49254 7.54969 12.3158 5.08437 11.7493 15.5475 6.65501 13.2316 4.4057 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 7.54969 6.49254 9.83528 11.7493 5.08437 12.3158 13.2316 6.65501 15.5475 4.4057 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 9.83528 6.49254 7.54969 15.1765 6.48948 10.3366 15.5475 6.65501 13.2316 7.42446 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 7.54969 6.49254 9.83528 10.3366 6.48948 15.1765 13.2316 6.65501 15.5475 7.42446 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 9.83528 6.49254 7.54969 8.06684 6.10456 5.15322 15.5475 6.65501 13.2316 9.67482 numMergedOcc 0
17 mol 98 unq 2 iso 1 dist 7.54969 6.49254 9.83528 5.15322 6.10456 8.06684 13.2316 6.65501 15.5475 9.67482 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 9.26438 10.3911 6.43255 5.68669 8.69985 6.80429 5.26309 7.80523 11.4333 7.74599 numMergedOcc 0
19 mol 109 unq 0 iso 1 dist 6.43255 10.3911 9.26438 6.80429 8.69985 5.68669 11.4333 7.80523 5.26309 7.74599 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 9.26438 15.5356 7.4389 5.68669 8.69985 12.3794 5.26309 7.80523 14.0908 7.74599 numMergedOcc 0
21 mol 109 unq 1 iso 1 dist 7.4389 15.5356 9.26438 12.3794 8.69985 5.68669 14.0908 7.80523 5.26309 7.74599 numMergedOcc 0
22 mol 109 unq 1 iso 0 dist 6.43255 7.25431 7.4389 6.80429 8.69985 12.3794 11.4333 7.80523 14.0908 7.74599 numMergedOcc 0
23 mol 109 unq 1 iso 1 dist 7.4389 7.25431 6.43255 12.3794 8.69985 6.80429 14.0908 7.80523 11.4333 7.74599 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 9.50575 10.8923 8.43116 6.68557 5.11551 4.96719 13.4067 6.92026 5.19545 6.77806 numMergedOcc 0
25 mol 115 unq 0 iso 1 dist 8.43116 10.8923 9.50575 4.96719 5.11551 6.68557 5.19545 6.92026 13.4067 6.77806 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.66715 15.1512 8.95433 14.0905 7.11802 11.0811 5.05981 9.22232 13.7968 16.0138 numMergedOcc 0
27 mol 133 unq 0 iso 1 dist 8.95433 15.1512 8.66715 11.0811 7.11802 14.0905 13.7968 9.22232 5.05981 16.0138 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 8.66715 15.1512 8.95433 14.0905 7.11802 11.0811 17.5205 9.22661 12.0166 5.92062 numMergedOcc 0
29 mol 133 unq 1 iso 1 dist 8.95433 15.1512 8.66715 11.0811 7.11802 14.0905 12.0166 9.22661 17.5205 5.92062 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 8.66715 15.1512 8.95433 14.0905 7.11802 11.0811 15.4908 7.56378 5.14992 6.61891 numMergedOcc 0
31 mol 133 unq 2 iso 1 dist 8.95433 15.1512 8.66715 11.0811 7.11802 14.0905 5.14992 7.56378 15.4908 6.61891 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 4.9155 7.36102 8.49987 9.30817 6.54501 6.47843 6.64576 7.80532 5.54455 7.41674 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 8.49987 7.36102 4.9155 6.47843 6.54501 9.30817 5.54455 7.80532 6.64576 7.41674 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 4.9155 7.36102 8.49987 10.879 6.49416 10.9399 6.64576 7.80532 5.54455 9.87376 numMergedOcc 0
35 mol 134 unq 1 iso 1 dist 8.49987 7.36102 4.9155 10.9399 6.49416 10.879 5.54455 7.80532 6.64576 9.87376 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 4.9155 11.0847 9.42271 9.30817 6.54501 6.16353 6.64576 7.80532 5.87436 7.41674 numMergedOcc 0
37 mol 134 unq 2 iso 1 dist 9.42271 11.0847 4.9155 6.16353 6.54501 9.30817 5.87436 7.80532 6.64576 7.41674 numMergedOcc 0
38 mol 134 unq 3 iso 0 dist 4.9155 11.0847 9.42271 10.879 6.49416 7.07625 6.64576 7.80532 5.87436 9.87376 numMergedOcc 0
39 mol 134 unq 3 iso 1 dist 9.42271 11.0847 4.9155 7.07625 6.49416 10.879 5.87436 7.80532 6.64576 9.87376 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 8.49987 8.91755 9.42271 6.47843 6.54501 6.16353 5.54455 7.80532 5.87436 7.41674 numMergedOcc 0
41 mol 134 unq 2 iso 1 dist 9.42271 8.91755 8.49987 6.16353 6.54501 6.47843 5.87436 7.80532 5.54455 7.41674 numMergedOcc 0
42 mol 134 unq 3 iso 0 dist 8.49987 8.91755 9.42271 10.9399 6.49416 7.07625 5.54455 7.80532 5.87436 9.87376 numMergedOcc 0
43 mol 134 unq 3 iso 1 dist 9.42271 8.91755 8.49987 7.07625 6.49416 10.9399 5.87436 7.80532 5.54455 9.87376 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 8.57514 4.88176 6.11505 5.56395 9.61492 9.35174 7.35197 4.8668 5.68053 9.13652 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 6.11505 4.88176 8.57514 9.35174 9.61492 5.56395 5.68053 4.8668 7.35197 9.13652 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 8.57514 4.88176 6.11505 12.397 7.45763 11.3225 7.35197 4.8668 5.68053 5.8535 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 6.11505 4.88176 8.57514 11.3225 7.45763 12.397 5.68053 4.8668 7.35197 5.8535 numMergedOcc 0
48 mol 229 unq 0 iso 0 dist 6.32302 9.90084 8.53615 6.52416 8.22528 6.81165 6.7597 8.66332 5.3298 6.65022 numMergedOcc 0
49 mol 229 unq 0 iso 1 dist 8.53615 9.90084 6.32302 6.81165 8.22528 6.52416 5.3298 8.66332 6.7597 6.65022 numMergedOcc 0
50 mol 241 unq 0 iso 0 dist 8.23536 9.1453 6.90245 5.50714 7.4631 5.3674 4.45211 7.89524 5.69979 4.45049 numMergedOcc 0
51 mol 241 unq 0 iso 1 dist 6.90245 9.1453 8.23536 5.3674 7.4631 5.50714 5.69979 7.89524 4.45211 4.45049 numMergedOcc 0
52 mol 264 unq 0 iso 0 dist 7.37999 7.19064 7.36703 4.72487 9.361 5.28781 10.9458 7.16853 6.24807 11.1431 numMergedOcc 0
53 mol 264 unq 0 iso 1 dist 7.36703 7.19064 7.37999 5.28781 9.361 4.72487 6.24807 7.16853 10.9458 11.1431 numMergedOcc 0
54 mol 264 unq 1 iso 0 dist 7.37999 7.19064 7.36703 11.0659 6.24356 5.91731 10.9458 7.16853 6.24807 5.00209 numMergedOcc 0
55 mol 264 unq 1 iso 1 dist 7.36703 7.19064 7.37999 5.91731 6.24356 11.0659 6.24807 7.16853 10.9458 5.00209 numMergedOcc 0
