0 mol 37 unq 0 iso 0 dist 8.40835 9.7385 12.0019 3.71371 7.86029 12.4278 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 4.70371 8.77395 8.20593 6.33835 8.57528 14.5092 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 4.70371 8.77395 8.20593 5.35556 8.24934 10.4609 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 4.70371 6.91288 6.20434 6.33835 8.57528 10.784 numMergedOcc 0
4 mol 55 unq 3 iso 0 dist 4.70371 6.91288 6.20434 5.35556 8.24934 6.58179 numMergedOcc 0
5 mol 55 unq 4 iso 0 dist 4.70371 8.60087 9.61184 6.33835 8.57528 14.8781 numMergedOcc 0
6 mol 55 unq 5 iso 0 dist 4.70371 8.60087 9.61184 5.35556 8.24934 11.537 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 8.70106 7.85115 11.2795 14.2575 8.10965 13.1685 numMergedOcc 0
8 mol 136 unq 0 iso 0 dist 9.67457 7.75661 6.80938 13.4598 8.99371 13.8871 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 6.45502 4.80508 7.82494 10.9769 8.6903 13.9751 numMergedOcc 0
10 mol 158 unq 1 iso 0 dist 6.45502 4.88625 5.34159 10.9769 8.6903 11.3527 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 3.87901 6.74196 4.89071 6.29065 8.19939 12.3689 numMergedOcc 0
12 mol 165 unq 1 iso 0 dist 5.04534 6.72652 4.89071 7.20557 8.19939 12.3689 numMergedOcc 0
13 mol 165 unq 2 iso 0 dist 5.04534 6.4503 6.22764 7.20557 8.19939 12.6652 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.6514 8.87575 11.6251 6.25478 7.04009 14.2344 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 9.0757 9.35481 16.095 10.3615 8.11014 18.4765 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 9.0757 9.11936 7.551 10.3615 8.11014 13.6484 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 9.0757 8.20517 4.75805 10.3615 8.11014 5.86468 numMergedOcc 0
18 mol 184 unq 3 iso 0 dist 9.39563 9.15923 4.75805 11.4233 8.11014 5.86468 numMergedOcc 0
19 mol 184 unq 4 iso 0 dist 9.39563 7.79098 11.6574 11.4233 8.11014 8.73302 numMergedOcc 0
20 mol 184 unq 5 iso 0 dist 7.51045 6.03505 4.75805 4.96558 8.11014 5.86468 numMergedOcc 0
21 mol 184 unq 6 iso 0 dist 7.51045 6.30144 11.6574 4.96558 8.11014 8.73302 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.98221 7.93815 12.6927 5.29106 8.72113 12.7129 numMergedOcc 0
23 mol 192 unq 0 iso 0 dist 5.99974 7.20524 5.27339 10.3962 8.43359 13.5887 numMergedOcc 0
24 mol 198 unq 0 iso 0 dist 8.74957 9.50184 5.46544 11.6419 8.73074 14.0499 numMergedOcc 0
25 mol 198 unq 1 iso 0 dist 7.91967 6.49746 5.46544 15.0552 8.73074 14.0499 numMergedOcc 0
26 mol 198 unq 2 iso 0 dist 7.91967 5.8917 6.14119 15.0552 8.73074 14.7725 numMergedOcc 0
27 mol 198 unq 3 iso 0 dist 7.83611 7.48253 11.4181 7.54337 8.73074 13.0708 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 9.3369 8.50234 6.40044 4.7869 6.97502 8.09863 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 9.3369 8.50234 6.40044 16.4963 8.8078 14.6227 numMergedOcc 0
30 mol 247 unq 0 iso 0 dist 6.56182 5.27761 6.27547 12.66 8.7797 14.7583 numMergedOcc 0
31 mol 247 unq 1 iso 0 dist 5.32075 5.27761 7.88685 5.03659 6.23164 9.60159 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 4.09984 6.41777 5.42273 8.15057 7.85044 10.5532 numMergedOcc 0
33 mol 291 unq 0 iso 0 dist 8.61441 9.50096 4.76921 7.40794 6.53337 10.1222 numMergedOcc 0
