0 mol 14 unq 0 iso 0 dist 8.82819 6.03847 9.7022 5.36937 5.53425 9.58196 3.80208 11.9706 5.76302 8.84686 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.73217 4.75873 9.04767 9.95397 4.53725 9.58196 6.35557 9.6726 5.76302 8.84686 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 5.99703 6.03847 9.04767 5.36937 4.53725 9.58196 3.80208 9.6726 5.76302 8.84686 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 12.8949 6.92781 6.31718 5.7598 6.57331 4.65873 8.43054 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 15.5112 10.0952 8.86116 19.1923 16.0162 11.6226 8.09311 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.0319 11.4109 6.86014 15.5112 10.0952 8.86116 23.276 16.8554 13.1949 9.05357 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 12.7352 5.06502 5.73819 17.6573 10.0168 5.07458 6.66407 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 9.47348 9.92508 8.93915 12.0317 5.89973 5.73819 12.0162 10.9975 5.07458 6.66407 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 7.7654 9.47656 8.90863 10.8421 6.54743 6.65595 4.70443 7.48086 7.80499 7.57295 numMergedOcc 0
9 mol 60 unq 1 iso 0 dist 7.15352 9.28444 6.65595 13.4319 6.54743 8.90863 16.4499 12.544 8.27828 9.95132 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 7.15352 9.28444 6.65595 13.4319 6.54743 8.90863 10.7546 7.57295 7.80499 7.48086 numMergedOcc 0
11 mol 60 unq 3 iso 0 dist 7.15352 4.80738 6.43294 11.7612 5.67502 8.7531 10.7546 7.57295 8.62476 8.4312 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 8.4143 13.7926 9.78528 8.21743 8.24309 9.96708 6.53445 6.21799 7.47371 7.12321 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 7.9258 4.75197 5.83991 9.26923 10.8507 7.30858 5.34438 10.5599 5.03039 6.04595 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.1146 11.0256 7.11802 15.6213 8.18495 8.00618 21.6203 12.5855 15.0115 8.77023 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 14.2569 11.988 8.06642 7.21868 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 6.34458 9.55584 6.95573 9.33924 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 14.2569 11.988 8.06642 7.93372 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 9.16358 10.0911 8.94367 6.48328 5.49782 6.37586 9.80637 13.9752 6.95573 9.33924 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 9.16358 10.0911 8.94367 6.48328 5.49782 6.37586 7.07082 7.21868 8.06642 7.93372 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 9.16358 9.66197 9.86662 6.48328 5.49782 9.71307 9.80637 13.9752 10.2026 9.33924 numMergedOcc 0
21 mol 134 unq 6 iso 0 dist 9.16358 9.66197 9.86662 6.48328 5.49782 9.71307 7.07082 7.21868 4.00092 7.93372 numMergedOcc 0
22 mol 134 unq 7 iso 0 dist 6.48328 10.0911 6.37586 9.16358 5.49782 8.94367 7.07082 7.93372 8.06642 7.21868 numMergedOcc 0
23 mol 134 unq 8 iso 0 dist 6.48328 9.66197 9.71307 9.16358 5.49782 9.86662 7.07082 7.93372 4.00092 7.21868 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 11.5265 4.70378 6.57273 18.87 13.2325 7.05804 8.79428 numMergedOcc 0
25 mol 224 unq 1 iso 0 dist 7.49783 12.8561 8.95269 14.8623 11.5372 5.78342 18.87 13.2325 7.05804 6.8692 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 5.92282 5.23634 5.0317 6.91318 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 5.92282 6.91318 5.0317 5.23634 numMergedOcc 0
28 mol 227 unq 2 iso 0 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 13.7106 12.3663 5.0317 5.23634 numMergedOcc 0
29 mol 227 unq 3 iso 0 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 13.7106 12.3663 5.0317 6.91318 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 8.68804 6.36273 9.06952 11.2048 6.84129 7.03423 12.8062 11.9869 7.22525 7.27993 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 5.46736 4.93623 6.56247 10.8568 5.88703 9.45496 15.2441 11.6391 12.4252 7.81215 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 5.46736 11.7817 9.36357 10.8568 5.88703 6.7625 15.2441 11.6391 5.75498 7.81215 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 9.37841 9.71586 9.01049 13.6353 7.03728 6.92774 14.7468 13.2256 5.75897 9.21786 numMergedOcc 0
34 mol 280 unq 0 iso 0 dist 5.41639 8.26589 6.53701 7.96485 5.51836 6.0664 4.06908 6.02353 4.90315 6.86234 numMergedOcc 0
35 mol 280 unq 1 iso 0 dist 7.96485 8.26589 6.0664 5.41639 5.51836 6.53701 4.06908 6.86234 4.90315 6.02353 numMergedOcc 0
