0 mol 26 unq 0 iso 0 dist 9.08976 4.76147 9.16962 7.56492 5.84066 8.25132 7.34549 11.887 8.34347 13.6027 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.23418 5.46406 9.20119 9.1673 5.81001 12.466 9.74449 6.89191 7.58835 12.457 numMergedOcc 0
2 mol 86 unq 0 iso 0 dist 9.71513 10.0943 7.79359 5.55516 5.88159 5.9022 17.6022 9.68893 9.5497 12.2025 numMergedOcc 0
3 mol 117 unq 0 iso 0 dist 9.77482 5.17524 6.62561 11.119 9.94053 7.20875 9.60425 11.3679 9.84395 16.804 numMergedOcc 0
4 mol 117 unq 1 iso 0 dist 9.77482 5.17524 6.62561 11.119 9.94053 7.20875 12.6233 4.91401 7.90328 8.84018 numMergedOcc 0
5 mol 117 unq 2 iso 0 dist 9.77482 10.7342 7.63616 11.119 9.94053 3.77029 12.6233 4.91401 7.83136 8.84018 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.70951 9.43252 9.63176 12.3592 6.55202 6.9194 10.8195 10.6679 8.73993 12.31 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 9.70951 9.43252 9.63176 4.06236 9.08536 9.68677 10.8195 10.6679 8.73993 7.64052 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 9.70951 5.53626 7.44174 12.3592 6.55202 12.4621 10.3424 7.36192 9.87172 11.2897 numMergedOcc 0
9 mol 119 unq 3 iso 0 dist 9.70951 5.53626 7.44174 4.06236 9.08536 6.20019 10.3424 7.36192 9.87172 6.99446 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 7.06919 8.60204 9.31887 5.74987 9.76114 5.00913 14.9052 11.0415 9.0018 13.6764 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 7.06919 8.60204 9.31887 5.74987 9.76114 5.00913 10.2595 5.0384 7.652 10.1305 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 8.91389 4.61382 6.73313 4.66231 5.73635 4.88992 13.3393 11.1088 9.31746 13.5224 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 6.553 12.2372 6.16063 4.84686 9.11572 13.1872 16.592 11.3297 8.41436 17.3846 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 6.553 12.2372 6.16063 4.84686 9.11572 13.1872 12.9314 10.2563 8.92474 11.3419 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 7.79898 11.3444 9.58736 4.23778 7.02029 13.7306 11.1531 9.66021 5.4638 13.8176 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 6.59305 4.88998 5.38637 11.3437 9.38131 13.378 8.39522 6.20606 6.57393 14.7404 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 6.59305 5.87189 6.55759 11.3437 9.38131 10.4966 5.99187 10.4664 7.31233 9.7696 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 9.13022 4.67735 7.67322 5.6469 7.39547 5.71717 11.3347 12.6986 7.31233 10.1172 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.92239 5.98235 7.97444 4.81089 9.23897 5.58776 12.1214 6.8406 8.49997 12.9576 numMergedOcc 0
