0 mol 34 unq 0 iso 0 dist 7.27883 12.2054 6.93364 6.71712 8.63361 11.952 13.9292 9.31883 3.8237 14.9872 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.27883 12.2054 6.93364 6.71712 8.63361 11.952 12.332 9.475 6.07532 14.6661 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 7.27883 12.2054 6.93364 6.71712 8.63361 11.952 10.6903 8.34011 4.47743 10.357 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 7.27883 12.2054 6.93364 6.71712 8.63361 11.952 7.10408 6.29842 11.418 4.465 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 7.27883 9.09489 6.34821 6.71712 8.63361 11.0362 13.9292 9.31883 4.97937 14.9872 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 7.27883 9.09489 6.34821 6.71712 8.63361 11.0362 12.332 9.475 3.68737 14.6661 numMergedOcc 0
6 mol 34 unq 6 iso 0 dist 7.27883 9.09489 6.34821 6.71712 8.63361 11.0362 10.6903 8.34011 3.93021 10.357 numMergedOcc 0
7 mol 34 unq 7 iso 0 dist 7.27883 9.09489 6.34821 6.71712 8.63361 11.0362 7.10408 6.29842 11.1366 4.465 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 7.86269 4.97513 7.54496 7.25581 7.51138 10.2107 12.2776 9.08732 9.67572 11.2933 numMergedOcc 0
9 mol 90 unq 1 iso 0 dist 7.86269 4.97513 7.54496 11.1561 9.86843 10.6903 12.2776 9.08732 9.67572 5.31762 numMergedOcc 0
10 mol 90 unq 2 iso 0 dist 7.86269 4.97513 7.54496 11.7919 6.86146 10.968 12.2776 9.08732 9.67572 5.06489 numMergedOcc 0
11 mol 90 unq 3 iso 0 dist 7.86269 4.97513 7.54496 9.89859 8.83296 5.69605 12.2776 9.08732 9.67572 5.30747 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.42713 12.5605 7.85041 8.02579 5.51624 9.97157 14.4533 6.46217 11.5028 10.1484 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 8.42713 12.5605 7.85041 12.3147 7.8674 8.01991 14.4533 6.46217 11.5028 10.2139 numMergedOcc 0
14 mol 93 unq 2 iso 0 dist 8.21032 10.878 7.85041 12.1011 5.51624 9.97157 3.24551 6.46217 11.5028 10.1484 numMergedOcc 0
15 mol 93 unq 3 iso 0 dist 8.21032 10.878 7.85041 9.97789 7.8674 8.01991 3.24551 6.46217 11.5028 10.2139 numMergedOcc 0
16 mol 111 unq 0 iso 0 dist 9.82548 15.3233 7.92876 15.0098 8.77841 5.7284 14.3069 4.72339 6.10261 6.86082 numMergedOcc 0
17 mol 111 unq 1 iso 0 dist 9.82548 15.3233 7.92876 15.0098 8.77841 5.7284 11.6056 6.48902 4.42903 4.79593 numMergedOcc 0
18 mol 111 unq 2 iso 0 dist 9.82548 15.3233 7.92876 15.0098 8.77841 5.7284 10.8119 7.21505 13.0195 10.2571 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 7.85653 6.63467 8.01587 10.1665 6.98813 5.39245 9.80482 8.3735 12.9241 12.005 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 7.85653 6.63467 8.01587 5.62223 5.39314 9.56001 9.80482 8.3735 12.9241 4.77448 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 6.4752 4.10092 5.1101 6.96543 9.23528 6.29593 11.3398 7.19893 7.97454 9.20965 numMergedOcc 0
22 mol 147 unq 1 iso 0 dist 6.4752 4.10092 5.1101 6.96543 9.23528 6.29593 6.78721 6.37938 3.547 4.60996 numMergedOcc 0
23 mol 147 unq 2 iso 0 dist 6.4752 4.47436 7.01133 6.96543 9.23528 11.2831 11.3398 7.19893 13.3536 9.20965 numMergedOcc 0
24 mol 147 unq 3 iso 0 dist 6.4752 4.47436 7.01133 6.96543 9.23528 11.2831 6.78721 6.37938 9.88741 4.60996 numMergedOcc 0
25 mol 163 unq 0 iso 0 dist 9.3832 14.7696 8.21476 16.5085 7.3546 9.79955 3.65465 7.69757 11.6682 14.9976 numMergedOcc 0
26 mol 163 unq 1 iso 0 dist 9.3832 9.55472 7.66897 16.5085 7.3546 12.6283 3.65465 7.69757 7.1982 14.9976 numMergedOcc 0
27 mol 163 unq 2 iso 0 dist 6.0247 6.00005 8.21476 6.56076 7.3546 9.79955 11.458 7.69757 11.6682 14.9976 numMergedOcc 0
28 mol 163 unq 3 iso 0 dist 6.0247 6.69711 7.66897 6.56076 7.3546 12.6283 11.458 7.69757 7.1982 14.9976 numMergedOcc 0
29 mol 163 unq 4 iso 0 dist 6.40873 9.09427 8.21476 9.55758 7.3546 9.79955 9.56095 7.69757 11.6682 14.9976 numMergedOcc 0
30 mol 163 unq 5 iso 0 dist 6.40873 5.45003 7.66897 9.55758 7.3546 12.6283 9.56095 7.69757 7.1982 14.9976 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 9.86462 6.34706 6.23898 5.92515 8.22792 6.08698 7.57188 5.4621 4.24855 9.11917 numMergedOcc 0
32 mol 218 unq 1 iso 0 dist 9.86462 6.34706 6.23898 5.92515 8.22792 6.08698 11.3371 8.91819 5.31276 10.6889 numMergedOcc 0
33 mol 250 unq 0 iso 0 dist 9.43554 14.0983 8.70484 15.3306 9.60364 6.11942 7.81555 7.5999 12.1963 10.18 numMergedOcc 0
34 mol 250 unq 1 iso 0 dist 9.43554 14.0983 8.70484 15.3306 9.60364 6.11942 9.41799 9.50976 7.38134 8.13777 numMergedOcc 0
35 mol 250 unq 2 iso 0 dist 9.21681 10.9117 8.70484 14.1113 9.60364 6.11942 16.7301 7.5999 12.1963 10.18 numMergedOcc 0
36 mol 250 unq 3 iso 0 dist 9.21681 10.9117 8.70484 14.1113 9.60364 6.11942 16.2129 9.50976 7.38134 8.13777 numMergedOcc 0
37 mol 264 unq 0 iso 0 dist 8.28871 9.63193 9.42738 5.7394 5.74568 8.79843 9.86659 8.78525 3.50016 7.06901 numMergedOcc 0
38 mol 264 unq 1 iso 0 dist 7.94668 12.2052 9.42738 6.63115 5.74568 8.79843 9.26671 8.78525 3.50016 7.06901 numMergedOcc 0
